REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1d6y_1_A DATA FIRST_RESID 7 DATA SEQUENCE MVPMDKTLKE FGADVQWDDY AQLFTLIKDG AYVKVKPGAQ TAIVNGQPLA DATA SEQUENCE LQVPVVMKDN KAWVSDTFIN DVFQSGLDQT FQVEKRPHPL NALTADEIKQ DATA SEQUENCE AVEIVKASAD FKPNTRFTEI SLLPPDKEAV WAFALENKPV DQPRKADVIM DATA SEQUENCE LDGKHIIEAV VDLQNNKLLS WQPIKDAHGM VLLDDFASVQ NIINNSEEFA DATA SEQUENCE AAVKKRGITD AKKVITTPLT VGYFDGKDGL KQDARLLKVI SYLDVGDGNY DATA SEQUENCE WAHPIENLVA VVDLEQKKIV KIEEGPVVPV PMTARPFDGR DRVAPAVKPM DATA SEQUENCE QIIEPEGKNY TITGDMIHWR NWDFHLSMNS RVGPMISTVT YNDNGTKRKV DATA SEQUENCE MYEGSLGGMI VPYGDPDIGW YFKAYLDSGD YGMGTLTSPI ARGKDAPSNA DATA SEQUENCE VLLNETIADY TGVPMEIPRA IAVFERYAGP EYKHQEMGQP NVSTERRELV DATA SEQUENCE VRWISTVGNX DYIFDWIFHE NGTIGIDAGA TGIEAVKGVK AKTMHDETAK DATA SEQUENCE DDTRYGTLID HNIVGTTHQH IYNFRLDLDV DGENNSLVAM DPVVKPNTAG DATA SEQUENCE GPRTSTMQVN QYNIGNEQDA AQKFDPGTIR LLSNPNKENR MGNPVSYQII DATA SEQUENCE PYAGGTHPVA KGAQFAPDEW IYHRLSFMDK QLWVTRYHPG ERFPEGKYPN DATA SEQUENCE RSTHDTGLGQ YSKDNESLDN TDAVVWMTTG TTHVARAEEW PIMPTEWVHT DATA SEQUENCE LLKPWNFFDE TPTLGALK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.476 176.300 0.293 0.000 1.140 7 M CA 0.000 55.410 55.300 0.183 0.000 0.988 7 M CB 0.000 32.718 32.600 0.196 0.000 1.302 8 V N 1.350 121.448 119.914 0.307 0.000 3.147 8 V HA 0.701 4.821 4.120 -0.000 0.000 0.299 8 V C -2.702 173.212 176.094 -0.299 0.000 1.302 8 V CA -1.655 60.699 62.300 0.090 0.000 1.015 8 V CB 3.248 35.072 31.823 0.001 0.000 1.086 8 V HN 0.643 nan 8.190 nan 0.000 0.437 9 P HA 0.190 nan 4.420 nan 0.000 0.267 9 P C 0.549 177.513 177.300 -0.559 0.000 1.209 9 P CA 0.291 62.764 63.100 -1.045 0.000 0.763 9 P CB 0.612 31.779 31.700 -0.887 0.000 0.816 10 M N 3.657 122.927 119.600 -0.550 0.000 2.091 10 M HA -0.206 4.274 4.480 -0.000 0.000 0.259 10 M C 1.144 177.275 176.300 -0.282 0.000 1.076 10 M CA 1.949 57.003 55.300 -0.409 0.000 1.111 10 M CB -0.513 31.769 32.600 -0.530 0.000 1.291 10 M HN 0.257 nan 8.290 nan 0.000 0.417 11 D N 0.478 120.717 120.400 -0.269 0.000 2.149 11 D HA -0.246 4.394 4.640 -0.000 0.000 0.194 11 D C 1.890 178.117 176.300 -0.122 0.000 1.001 11 D CA 1.705 55.615 54.000 -0.150 0.000 0.849 11 D CB -0.363 40.368 40.800 -0.115 0.000 0.939 11 D HN 0.483 nan 8.370 nan 0.000 0.449 12 K N 0.229 120.526 120.400 -0.172 0.000 2.001 12 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 12 K C 2.124 178.668 176.600 -0.093 0.000 1.048 12 K CA 1.462 57.669 56.287 -0.133 0.000 0.932 12 K CB -0.007 32.386 32.500 -0.177 0.000 0.715 12 K HN -0.038 nan 8.250 nan 0.000 0.437 13 T N 2.325 116.809 114.554 -0.116 0.000 2.674 13 T HA -0.107 4.243 4.350 -0.000 0.000 0.265 13 T C 1.727 176.433 174.700 0.010 0.000 1.039 13 T CA 1.006 63.071 62.100 -0.059 0.000 1.150 13 T CB -0.096 68.726 68.868 -0.078 0.000 0.864 13 T HN 0.086 nan 8.240 nan 0.000 0.427 14 L N 1.128 122.360 121.223 0.015 0.000 2.042 14 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 14 L C 2.336 179.267 176.870 0.103 0.000 1.076 14 L CA 1.855 56.760 54.840 0.107 0.000 0.749 14 L CB -0.972 41.146 42.059 0.098 0.000 0.893 14 L HN 0.345 nan 8.230 nan 0.000 0.432 15 K N -0.266 120.154 120.400 0.033 0.000 2.217 15 K HA -0.133 4.187 4.320 -0.000 0.000 0.202 15 K C 1.839 178.444 176.600 0.008 0.000 1.051 15 K CA 0.733 57.027 56.287 0.011 0.000 0.952 15 K CB 0.054 32.550 32.500 -0.006 0.000 0.736 15 K HN 0.430 nan 8.250 nan 0.000 0.453 16 E N -0.006 120.210 120.200 0.027 0.000 2.208 16 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 16 E C 1.436 178.076 176.600 0.067 0.000 0.988 16 E CA 0.593 57.010 56.400 0.028 0.000 0.828 16 E CB -0.021 29.693 29.700 0.024 0.000 0.763 16 E HN 0.201 nan 8.360 nan 0.000 0.478 17 F N 0.420 120.316 119.950 -0.090 0.000 2.661 17 F HA 0.148 4.675 4.527 -0.000 0.000 0.298 17 F C 1.452 177.166 175.800 -0.142 0.000 1.137 17 F CA 1.197 59.117 58.000 -0.133 0.000 1.454 17 F CB 0.311 39.197 39.000 -0.190 0.000 1.103 17 F HN 0.057 nan 8.300 nan 0.000 0.577 18 G N 0.380 109.056 108.800 -0.207 0.000 2.157 18 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.239 18 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.239 18 G C 0.423 175.163 174.900 -0.266 0.000 0.982 18 G CA 0.093 45.031 45.100 -0.270 0.000 0.650 18 G HN 0.831 nan 8.290 nan 0.000 0.527 19 A N -0.286 122.409 122.820 -0.207 0.000 2.322 19 A HA 0.628 4.948 4.320 -0.000 0.000 0.269 19 A C 0.056 177.648 177.584 0.013 0.000 1.094 19 A CA 0.520 52.509 52.037 -0.080 0.000 0.807 19 A CB 0.616 19.659 19.000 0.072 0.000 1.047 19 A HN 0.500 nan 8.150 nan 0.000 0.487 20 D N 0.244 120.671 120.400 0.045 0.000 2.177 20 D HA 0.479 5.119 4.640 -0.000 0.000 0.247 20 D C -0.908 175.450 176.300 0.097 0.000 1.063 20 D CA 0.064 54.098 54.000 0.057 0.000 0.867 20 D CB 1.226 42.054 40.800 0.047 0.000 1.168 20 D HN 0.190 nan 8.370 nan 0.000 0.445 21 V N 4.246 124.225 119.914 0.109 0.000 2.409 21 V HA 0.372 4.492 4.120 -0.000 0.000 0.291 21 V C -0.329 175.890 176.094 0.209 0.000 1.020 21 V CA -0.726 61.674 62.300 0.167 0.000 0.848 21 V CB 1.432 33.345 31.823 0.149 0.000 0.990 21 V HN 0.543 nan 8.190 nan 0.000 0.430 22 Q N 4.316 124.266 119.800 0.250 0.000 2.340 22 Q HA 0.402 4.742 4.340 -0.000 0.000 0.268 22 Q C -1.266 174.922 176.000 0.313 0.000 1.031 22 Q CA -0.398 55.540 55.803 0.224 0.000 0.804 22 Q CB 2.953 31.760 28.738 0.115 0.000 1.286 22 Q HN 0.854 nan 8.270 nan 0.000 0.448 23 W N 4.270 125.594 121.300 0.039 0.000 2.475 23 W HA 0.331 4.991 4.660 0.000 0.000 0.317 23 W C -1.463 174.974 176.519 -0.137 0.000 1.046 23 W CA -0.491 56.740 57.345 -0.189 0.000 1.215 23 W CB 1.484 30.789 29.460 -0.259 0.000 1.335 23 W HN 0.624 nan 8.180 nan 0.000 0.471 24 D N 4.502 124.257 120.400 -1.075 0.000 2.441 24 D HA 0.037 4.677 4.640 -0.000 0.000 0.231 24 D C 0.484 176.025 176.300 -1.265 0.000 1.073 24 D CA -0.045 53.462 54.000 -0.822 0.000 0.850 24 D CB 1.254 41.781 40.800 -0.455 0.000 1.062 24 D HN 0.518 nan 8.370 nan 0.000 0.524 25 D N 2.479 122.366 120.400 -0.855 0.000 2.178 25 D HA -0.240 4.400 4.640 -0.000 0.000 0.202 25 D C 1.498 177.670 176.300 -0.213 0.000 0.974 25 D CA 0.992 54.742 54.000 -0.417 0.000 0.841 25 D CB -0.007 40.836 40.800 0.072 0.000 0.953 25 D HN 0.495 nan 8.370 nan 0.000 0.478 26 Y N 0.566 120.702 120.300 -0.272 0.000 2.200 26 Y HA -0.012 4.538 4.550 -0.000 0.000 0.290 26 Y C 1.957 177.745 175.900 -0.187 0.000 1.137 26 Y CA 1.831 59.828 58.100 -0.172 0.000 1.163 26 Y CB -0.427 37.952 38.460 -0.135 0.000 0.988 26 Y HN 0.020 nan 8.280 nan 0.000 0.518 27 A N -0.953 121.666 122.820 -0.335 0.000 2.238 27 A HA 0.099 4.419 4.320 -0.000 0.000 0.210 27 A C 0.658 178.021 177.584 -0.370 0.000 1.179 27 A CA 0.461 52.271 52.037 -0.379 0.000 0.827 27 A CB -0.080 18.780 19.000 -0.233 0.000 0.856 27 A HN 0.465 nan 8.150 nan 0.000 0.488 28 Q N -1.880 117.606 119.800 -0.524 0.000 2.463 28 Q HA -0.202 4.138 4.340 -0.000 0.000 0.299 28 Q C -0.781 174.962 176.000 -0.428 0.000 1.353 28 Q CA 0.867 56.385 55.803 -0.476 0.000 0.828 28 Q CB -1.979 26.714 28.738 -0.075 0.000 1.157 28 Q HN 0.571 nan 8.270 nan 0.000 0.436 29 L N -0.265 120.529 121.223 -0.715 0.000 2.408 29 L HA 0.682 5.022 4.340 -0.000 0.000 0.268 29 L C -1.056 175.645 176.870 -0.281 0.000 0.986 29 L CA -0.546 54.112 54.840 -0.303 0.000 0.820 29 L CB 1.300 43.251 42.059 -0.180 0.000 1.303 29 L HN 0.009 nan 8.230 nan 0.000 0.411 30 F N 2.313 122.356 119.950 0.155 0.000 2.420 30 F HA 0.608 5.135 4.527 -0.000 0.000 0.342 30 F C 0.392 176.250 175.800 0.096 0.000 1.113 30 F CA -0.216 57.920 58.000 0.228 0.000 1.059 30 F CB 2.057 41.224 39.000 0.279 0.000 1.128 30 F HN 0.368 nan 8.300 nan 0.000 0.475 31 T N 5.588 120.300 114.554 0.263 0.000 2.791 31 T HA 0.546 4.896 4.350 -0.000 0.000 0.288 31 T C -0.884 173.849 174.700 0.056 0.000 0.999 31 T CA -0.501 61.632 62.100 0.055 0.000 0.952 31 T CB 0.624 69.464 68.868 -0.046 0.000 0.938 31 T HN 0.057 nan 8.240 nan 0.000 0.444 32 L N 4.509 125.744 121.223 0.019 0.000 2.307 32 L HA 0.652 4.992 4.340 -0.000 0.000 0.284 32 L C -0.242 176.658 176.870 0.050 0.000 1.023 32 L CA -0.596 54.318 54.840 0.124 0.000 0.810 32 L CB 1.130 43.357 42.059 0.280 0.000 1.231 32 L HN 0.625 nan 8.230 nan 0.000 0.423 33 I N 3.225 123.860 120.570 0.108 0.000 2.569 33 I HA 0.505 4.675 4.170 -0.000 0.000 0.290 33 I C -0.464 175.747 176.117 0.157 0.000 1.088 33 I CA -0.677 60.686 61.300 0.106 0.000 1.047 33 I CB 2.255 40.271 38.000 0.026 0.000 1.237 33 I HN 0.492 nan 8.210 nan 0.000 0.421 34 K N 5.990 126.514 120.400 0.207 0.000 2.616 34 K HA 0.236 4.556 4.320 -0.000 0.000 0.255 34 K C -0.910 175.773 176.600 0.138 0.000 0.995 34 K CA -0.376 55.955 56.287 0.072 0.000 0.860 34 K CB 1.139 33.548 32.500 -0.152 0.000 1.264 34 K HN 0.746 nan 8.250 nan 0.000 0.451 35 D N 2.014 122.481 120.400 0.112 0.000 3.927 35 D HA -0.271 4.369 4.640 -0.000 0.000 0.142 35 D C 0.983 177.401 176.300 0.195 0.000 0.830 35 D CA 2.247 56.349 54.000 0.169 0.000 1.091 35 D CB -0.957 39.971 40.800 0.214 0.000 0.495 35 D HN 0.776 nan 8.370 nan 0.000 0.489 36 G N 0.529 109.455 108.800 0.210 0.000 2.712 36 G HA2 0.345 4.305 3.960 -0.000 0.000 0.212 36 G HA3 0.345 4.305 3.960 -0.000 0.000 0.212 36 G C 0.409 175.418 174.900 0.182 0.000 1.142 36 G CA 1.010 46.193 45.100 0.139 0.000 0.789 36 G HN 0.659 nan 8.290 nan 0.000 0.535 37 A N 0.009 122.989 122.820 0.268 0.000 2.289 37 A HA 0.612 4.932 4.320 -0.000 0.000 0.298 37 A C -1.481 176.278 177.584 0.293 0.000 1.208 37 A CA -0.554 51.654 52.037 0.285 0.000 0.845 37 A CB 0.475 19.739 19.000 0.439 0.000 1.125 37 A HN 0.289 nan 8.150 nan 0.000 0.517 38 Y N 3.235 123.592 120.300 0.094 0.000 2.426 38 Y HA 0.501 5.051 4.550 -0.000 0.000 0.325 38 Y C -0.883 175.039 175.900 0.036 0.000 0.989 38 Y CA -0.565 57.586 58.100 0.085 0.000 1.284 38 Y CB 1.299 39.797 38.460 0.064 0.000 1.104 38 Y HN 0.466 nan 8.280 nan 0.000 0.481 39 V N 5.815 125.677 119.914 -0.087 0.000 2.630 39 V HA 0.540 4.660 4.120 -0.000 0.000 0.305 39 V C -0.763 175.315 176.094 -0.027 0.000 1.046 39 V CA -1.079 61.181 62.300 -0.066 0.000 0.934 39 V CB 1.947 33.656 31.823 -0.191 0.000 1.003 39 V HN 0.577 nan 8.190 nan 0.000 0.451 40 K N 2.623 123.056 120.400 0.054 0.000 2.507 40 K HA 0.733 5.053 4.320 -0.000 0.000 0.252 40 K C -1.678 175.000 176.600 0.130 0.000 0.943 40 K CA -0.504 55.844 56.287 0.103 0.000 0.808 40 K CB 2.489 35.060 32.500 0.118 0.000 1.142 40 K HN 0.440 nan 8.250 nan 0.000 0.426 41 V N 3.259 123.295 119.914 0.204 0.000 2.760 41 V HA 0.436 4.556 4.120 -0.000 0.000 0.309 41 V C -1.582 174.688 176.094 0.294 0.000 1.077 41 V CA -0.705 61.732 62.300 0.229 0.000 0.910 41 V CB 1.823 33.809 31.823 0.273 0.000 1.008 41 V HN 0.634 nan 8.190 nan 0.000 0.424 42 K N 6.371 126.904 120.400 0.223 0.000 2.164 42 K HA 0.545 4.865 4.320 -0.000 0.000 0.258 42 K C -2.739 174.008 176.600 0.245 0.000 0.951 42 K CA -1.843 54.582 56.287 0.231 0.000 0.844 42 K CB 1.780 34.354 32.500 0.124 0.000 1.099 42 K HN 0.439 nan 8.250 nan 0.000 0.435 43 P HA -0.065 nan 4.420 nan 0.000 0.264 43 P C 0.645 178.031 177.300 0.142 0.000 1.193 43 P CA 0.972 64.210 63.100 0.230 0.000 0.763 43 P CB 0.519 32.367 31.700 0.248 0.000 0.810 44 G N 2.229 111.092 108.800 0.105 0.000 2.253 44 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.251 44 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.251 44 G C 0.503 175.445 174.900 0.069 0.000 0.998 44 G CA 0.015 45.159 45.100 0.074 0.000 0.621 44 G HN 0.853 nan 8.290 nan 0.000 0.524 45 A N 0.025 122.896 122.820 0.085 0.000 2.462 45 A HA 0.605 4.925 4.320 -0.000 0.000 0.243 45 A C 1.114 178.740 177.584 0.070 0.000 1.076 45 A CA 1.158 53.239 52.037 0.074 0.000 0.773 45 A CB 0.268 19.319 19.000 0.084 0.000 1.010 45 A HN 0.516 nan 8.150 nan 0.000 0.493 46 Q N -0.111 119.721 119.800 0.054 0.000 2.425 46 Q HA 0.061 4.401 4.340 -0.000 0.000 0.204 46 Q C 0.474 176.504 176.000 0.050 0.000 0.933 46 Q CA 1.038 56.870 55.803 0.049 0.000 0.939 46 Q CB 0.160 28.919 28.738 0.035 0.000 1.044 46 Q HN 0.945 nan 8.270 nan 0.000 0.513 47 T N -3.662 110.924 114.554 0.053 0.000 2.865 47 T HA 0.842 5.192 4.350 -0.000 0.000 0.294 47 T C -0.846 173.890 174.700 0.061 0.000 1.119 47 T CA -0.689 61.439 62.100 0.046 0.000 1.007 47 T CB 2.202 71.089 68.868 0.031 0.000 1.225 47 T HN 0.020 nan 8.240 nan 0.000 0.515 48 A N 0.629 123.476 122.820 0.045 0.000 2.524 48 A HA 0.837 5.157 4.320 -0.000 0.000 0.286 48 A C -1.501 176.098 177.584 0.025 0.000 1.203 48 A CA -0.964 51.104 52.037 0.051 0.000 0.736 48 A CB 1.327 20.358 19.000 0.052 0.000 1.322 48 A HN 0.784 nan 8.150 nan 0.000 0.424 49 I N 1.055 121.642 120.570 0.029 0.000 2.436 49 I HA 0.477 4.647 4.170 -0.000 0.000 0.289 49 I C -0.937 175.187 176.117 0.012 0.000 1.010 49 I CA -0.551 60.765 61.300 0.028 0.000 1.098 49 I CB 1.266 39.301 38.000 0.058 0.000 1.266 49 I HN 0.271 nan 8.210 nan 0.000 0.434 50 V N 5.938 125.848 119.914 -0.006 0.000 2.407 50 V HA 0.361 4.481 4.120 -0.000 0.000 0.291 50 V C 0.481 176.591 176.094 0.026 0.000 1.018 50 V CA -0.884 61.404 62.300 -0.020 0.000 0.842 50 V CB 1.173 32.945 31.823 -0.085 0.000 0.996 50 V HN 0.879 nan 8.190 nan 0.000 0.426 51 N N 4.082 122.830 118.700 0.081 0.000 2.707 51 N HA -0.266 4.474 4.740 -0.000 0.000 0.253 51 N C 1.190 176.717 175.510 0.028 0.000 0.998 51 N CA 0.481 53.571 53.050 0.067 0.000 0.751 51 N CB -0.610 37.902 38.487 0.043 0.000 0.920 51 N HN 1.383 nan 8.380 nan 0.000 0.539 52 G N -1.285 107.539 108.800 0.039 0.000 2.205 52 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.261 52 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.261 52 G C -0.126 174.782 174.900 0.013 0.000 0.980 52 G CA 0.369 45.480 45.100 0.018 0.000 0.632 52 G HN 0.411 nan 8.290 nan 0.000 0.533 53 Q N 0.952 120.759 119.800 0.011 0.000 2.282 53 Q HA 0.447 4.787 4.340 -0.000 0.000 0.260 53 Q C -2.394 173.607 176.000 0.001 0.000 0.964 53 Q CA -2.058 53.747 55.803 0.003 0.000 0.880 53 Q CB 2.315 31.051 28.738 -0.002 0.000 1.286 53 Q HN 0.346 nan 8.270 nan 0.000 0.445 54 P HA 0.112 nan 4.420 nan 0.000 0.271 54 P C -0.819 176.477 177.300 -0.007 0.000 1.216 54 P CA -0.359 62.743 63.100 0.002 0.000 0.771 54 P CB 0.782 32.485 31.700 0.005 0.000 0.864 55 L N 3.380 124.598 121.223 -0.009 0.000 2.409 55 L HA 0.675 5.015 4.340 -0.000 0.000 0.272 55 L C -0.693 176.173 176.870 -0.007 0.000 0.980 55 L CA -0.921 53.907 54.840 -0.021 0.000 0.826 55 L CB 1.800 43.828 42.059 -0.052 0.000 1.268 55 L HN 0.441 nan 8.230 nan 0.000 0.407 56 A N 5.719 128.536 122.820 -0.005 0.000 2.401 56 A HA 0.650 4.970 4.320 -0.000 0.000 0.259 56 A C -0.739 176.851 177.584 0.011 0.000 1.103 56 A CA -0.307 51.734 52.037 0.008 0.000 0.789 56 A CB 0.069 19.073 19.000 0.007 0.000 1.035 56 A HN 0.749 nan 8.150 nan 0.000 0.491 57 L N 2.224 123.466 121.223 0.032 0.000 2.325 57 L HA 0.291 4.631 4.340 -0.000 0.000 0.278 57 L C 1.223 178.123 176.870 0.050 0.000 1.023 57 L CA -0.481 54.390 54.840 0.052 0.000 0.811 57 L CB 1.622 43.740 42.059 0.098 0.000 1.249 57 L HN 0.950 nan 8.230 nan 0.000 0.431 58 Q N 1.301 121.132 119.800 0.051 0.000 2.049 58 Q HA 0.011 4.351 4.340 -0.000 0.000 0.198 58 Q C -0.256 175.775 176.000 0.052 0.000 0.971 58 Q CA 1.036 56.864 55.803 0.043 0.000 0.833 58 Q CB 0.259 29.021 28.738 0.040 0.000 0.896 58 Q HN 0.438 nan 8.270 nan 0.000 0.434 59 V N 2.530 122.489 119.914 0.075 0.000 2.376 59 V HA 0.279 4.399 4.120 -0.000 0.000 0.287 59 V C -2.273 173.871 176.094 0.084 0.000 1.015 59 V CA -1.757 60.584 62.300 0.069 0.000 0.834 59 V CB 1.254 33.117 31.823 0.066 0.000 1.001 59 V HN 0.089 nan 8.190 nan 0.000 0.428 60 P HA 0.115 nan 4.420 nan 0.000 0.270 60 P C -0.357 176.967 177.300 0.040 0.000 1.227 60 P CA -0.158 62.984 63.100 0.070 0.000 0.788 60 P CB 0.488 32.223 31.700 0.058 0.000 0.926 61 V N 1.966 121.897 119.914 0.029 0.000 2.555 61 V HA 0.197 4.317 4.120 -0.000 0.000 0.286 61 V C 0.419 176.529 176.094 0.027 0.000 1.044 61 V CA -0.016 62.260 62.300 -0.041 0.000 1.026 61 V CB 0.782 32.570 31.823 -0.059 0.000 0.981 61 V HN 0.344 nan 8.190 nan 0.000 0.480 62 V N 4.351 124.286 119.914 0.034 0.000 2.555 62 V HA 0.640 4.760 4.120 -0.000 0.000 0.302 62 V C -0.320 175.835 176.094 0.102 0.000 1.038 62 V CA -1.011 61.322 62.300 0.055 0.000 0.887 62 V CB 1.996 33.829 31.823 0.017 0.000 0.991 62 V HN 0.673 nan 8.190 nan 0.000 0.434 63 M N 3.797 123.442 119.600 0.074 0.000 2.108 63 M HA 0.539 5.019 4.480 -0.000 0.000 0.354 63 M C -0.483 175.848 176.300 0.051 0.000 1.229 63 M CA -0.141 55.207 55.300 0.080 0.000 1.081 63 M CB 0.768 33.384 32.600 0.025 0.000 1.606 63 M HN 0.776 nan 8.290 nan 0.000 0.467 64 K N 2.375 122.846 120.400 0.118 0.000 2.575 64 K HA 0.261 4.581 4.320 -0.000 0.000 0.236 64 K C -0.805 175.847 176.600 0.087 0.000 0.976 64 K CA 0.035 56.315 56.287 -0.011 0.000 0.985 64 K CB 0.391 32.669 32.500 -0.370 0.000 1.198 64 K HN 0.664 nan 8.250 nan 0.000 0.464 65 D N 3.463 123.881 120.400 0.030 0.000 2.739 65 D HA -0.194 4.446 4.640 -0.000 0.000 0.240 65 D C -0.856 175.470 176.300 0.043 0.000 1.114 65 D CA 1.203 55.225 54.000 0.037 0.000 0.695 65 D CB -1.328 39.503 40.800 0.051 0.000 1.078 65 D HN 0.834 nan 8.370 nan 0.000 0.434 66 N N -1.045 117.663 118.700 0.015 0.000 2.753 66 N HA -0.245 4.495 4.740 -0.000 0.000 0.251 66 N C -0.977 174.512 175.510 -0.035 0.000 1.097 66 N CA 1.680 54.709 53.050 -0.034 0.000 0.786 66 N CB -0.504 37.963 38.487 -0.034 0.000 1.137 66 N HN 0.657 nan 8.380 nan 0.000 0.566 67 K N -0.066 120.369 120.400 0.058 0.000 2.413 67 K HA 0.716 5.036 4.320 -0.000 0.000 0.257 67 K C -0.318 176.355 176.600 0.121 0.000 0.946 67 K CA -0.545 55.774 56.287 0.053 0.000 0.823 67 K CB 1.879 34.468 32.500 0.149 0.000 1.109 67 K HN 0.167 nan 8.250 nan 0.000 0.427 68 A N 2.765 125.550 122.820 -0.059 0.000 2.371 68 A HA 0.464 4.784 4.320 -0.000 0.000 0.257 68 A C -1.297 176.163 177.584 -0.208 0.000 1.089 68 A CA -0.093 51.911 52.037 -0.055 0.000 0.794 68 A CB 0.097 18.951 19.000 -0.243 0.000 1.029 68 A HN 0.676 nan 8.150 nan 0.000 0.488 69 W N 0.286 121.468 121.300 -0.198 0.000 2.936 69 W HA 0.545 5.205 4.660 -0.000 0.000 0.338 69 W C -0.334 176.030 176.519 -0.259 0.000 1.121 69 W CA -0.403 56.825 57.345 -0.194 0.000 1.209 69 W CB 1.902 31.287 29.460 -0.124 0.000 1.420 69 W HN 0.778 nan 8.180 nan 0.000 0.516 70 V N -0.789 119.068 119.914 -0.096 0.000 3.160 70 V HA 0.732 4.852 4.120 -0.000 0.000 0.310 70 V C -0.033 176.036 176.094 -0.041 0.000 1.181 70 V CA -1.239 60.917 62.300 -0.239 0.000 1.047 70 V CB 1.124 32.488 31.823 -0.765 0.000 1.068 70 V HN 0.469 nan 8.190 nan 0.000 0.441 71 S N 0.786 116.501 115.700 0.025 0.000 2.573 71 S HA 0.070 4.540 4.470 -0.000 0.000 0.277 71 S C 1.007 175.671 174.600 0.108 0.000 1.346 71 S CA 0.438 58.696 58.200 0.097 0.000 1.034 71 S CB 0.359 63.643 63.200 0.141 0.000 0.879 71 S HN 1.130 nan 8.310 nan 0.000 0.528 72 D N 2.140 122.587 120.400 0.079 0.000 2.378 72 D HA -0.066 4.574 4.640 -0.000 0.000 0.227 72 D C 1.167 177.501 176.300 0.057 0.000 1.012 72 D CA 0.679 54.714 54.000 0.059 0.000 0.905 72 D CB -0.216 40.610 40.800 0.044 0.000 0.895 72 D HN 0.468 nan 8.370 nan 0.000 0.532 73 T N -1.329 113.273 114.554 0.079 0.000 3.044 73 T HA 0.085 4.435 4.350 -0.000 0.000 0.260 73 T C 0.894 175.637 174.700 0.070 0.000 1.019 73 T CA -0.613 61.518 62.100 0.052 0.000 0.921 73 T CB -0.578 68.312 68.868 0.036 0.000 1.053 73 T HN 0.020 nan 8.240 nan 0.000 0.533 74 F N 2.283 122.214 119.950 -0.031 0.000 2.025 74 F HA -0.064 4.463 4.527 -0.000 0.000 0.297 74 F C 1.778 177.562 175.800 -0.027 0.000 1.132 74 F CA 1.728 59.711 58.000 -0.030 0.000 1.191 74 F CB -0.459 38.523 39.000 -0.029 0.000 0.963 74 F HN 0.175 nan 8.300 nan 0.000 0.481 75 I N 0.423 120.995 120.570 0.003 0.000 2.185 75 I HA -0.418 3.752 4.170 -0.000 0.000 0.246 75 I C 2.507 178.533 176.117 -0.151 0.000 1.088 75 I CA 1.881 63.101 61.300 -0.133 0.000 1.347 75 I CB -0.785 36.961 38.000 -0.423 0.000 1.041 75 I HN 0.412 nan 8.210 nan 0.000 0.415 76 N N 1.049 119.669 118.700 -0.134 0.000 2.080 76 N HA -0.205 4.535 4.740 -0.000 0.000 0.189 76 N C 1.415 176.867 175.510 -0.098 0.000 1.036 76 N CA 1.838 54.834 53.050 -0.090 0.000 0.846 76 N CB -0.167 38.285 38.487 -0.059 0.000 1.015 76 N HN 0.289 nan 8.380 nan 0.000 0.423 77 D N 0.445 120.768 120.400 -0.129 0.000 2.149 77 D HA -0.110 4.530 4.640 -0.000 0.000 0.198 77 D C 2.029 178.194 176.300 -0.226 0.000 0.990 77 D CA 0.896 54.809 54.000 -0.143 0.000 0.839 77 D CB 0.015 40.742 40.800 -0.121 0.000 0.948 77 D HN 0.188 nan 8.370 nan 0.000 0.460 78 V N 0.054 119.727 119.914 -0.403 0.000 2.374 78 V HA -0.115 4.005 4.120 -0.000 0.000 0.241 78 V C 2.077 177.895 176.094 -0.460 0.000 1.034 78 V CA 1.041 63.015 62.300 -0.544 0.000 1.037 78 V CB -0.458 30.759 31.823 -1.012 0.000 0.682 78 V HN 0.010 nan 8.190 nan 0.000 0.463 79 F N -0.152 119.669 119.950 -0.216 0.000 2.270 79 F HA -0.009 4.517 4.527 -0.000 0.000 0.295 79 F C 2.204 177.991 175.800 -0.022 0.000 1.087 79 F CA 0.860 58.819 58.000 -0.068 0.000 1.365 79 F CB -0.198 38.782 39.000 -0.033 0.000 1.056 79 F HN 0.119 nan 8.300 nan 0.000 0.506 80 Q N -0.086 119.772 119.800 0.098 0.000 2.247 80 Q HA 0.047 4.387 4.340 -0.000 0.000 0.205 80 Q C 2.032 178.041 176.000 0.015 0.000 0.896 80 Q CA 0.380 56.220 55.803 0.062 0.000 0.950 80 Q CB -0.297 28.460 28.738 0.032 0.000 1.054 80 Q HN 0.347 nan 8.270 nan 0.000 0.482 81 S N -1.392 114.295 115.700 -0.021 0.000 2.353 81 S HA -0.072 4.398 4.470 -0.000 0.000 0.222 81 S C 1.673 176.267 174.600 -0.010 0.000 1.035 81 S CA 1.216 59.392 58.200 -0.040 0.000 1.025 81 S CB -0.268 62.883 63.200 -0.083 0.000 0.902 81 S HN 0.470 nan 8.310 nan 0.000 0.440 82 G N 0.332 109.137 108.800 0.009 0.000 2.318 82 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.172 82 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.172 82 G C 0.652 175.563 174.900 0.018 0.000 1.002 82 G CA 0.118 45.232 45.100 0.023 0.000 0.697 82 G HN 0.452 nan 8.290 nan 0.000 0.483 83 L N 0.873 122.097 121.223 0.002 0.000 2.395 83 L HA 0.210 4.550 4.340 -0.000 0.000 0.218 83 L C 0.884 177.764 176.870 0.016 0.000 1.130 83 L CA 0.826 55.665 54.840 -0.001 0.000 0.826 83 L CB 0.031 42.076 42.059 -0.023 0.000 0.941 83 L HN 0.206 nan 8.230 nan 0.000 0.451 84 D N 0.458 120.882 120.400 0.040 0.000 2.428 84 D HA 0.075 4.715 4.640 -0.000 0.000 0.221 84 D C 0.526 176.872 176.300 0.077 0.000 1.123 84 D CA -0.085 53.958 54.000 0.072 0.000 0.869 84 D CB 0.959 41.840 40.800 0.135 0.000 1.032 84 D HN 0.128 nan 8.370 nan 0.000 0.506 85 Q N 1.990 121.812 119.800 0.037 0.000 2.280 85 Q HA 0.041 4.381 4.340 -0.000 0.000 0.202 85 Q C 1.237 177.233 176.000 -0.007 0.000 0.903 85 Q CA 0.050 55.869 55.803 0.027 0.000 0.948 85 Q CB 0.447 29.189 28.738 0.007 0.000 1.058 85 Q HN 0.468 nan 8.270 nan 0.000 0.493 86 T N 0.624 115.156 114.554 -0.037 0.000 2.699 86 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 86 T C 0.175 174.681 174.700 -0.323 0.000 1.036 86 T CA 1.270 63.242 62.100 -0.214 0.000 1.147 86 T CB -0.050 68.668 68.868 -0.249 0.000 0.862 86 T HN 0.111 nan 8.240 nan 0.000 0.446 87 F N 1.495 121.475 119.950 0.050 0.000 2.427 87 F HA 0.486 5.013 4.527 0.000 0.000 0.346 87 F C 0.351 176.173 175.800 0.036 0.000 1.120 87 F CA -1.095 56.933 58.000 0.047 0.000 1.033 87 F CB 1.209 40.238 39.000 0.049 0.000 1.126 87 F HN -0.169 nan 8.300 nan 0.000 0.462 88 Q N 2.402 122.317 119.800 0.191 0.000 2.345 88 Q HA 0.497 4.836 4.340 -0.000 0.000 0.268 88 Q C -0.596 175.474 176.000 0.117 0.000 1.054 88 Q CA -1.048 54.827 55.803 0.120 0.000 0.835 88 Q CB 2.712 31.491 28.738 0.068 0.000 1.339 88 Q HN 0.580 nan 8.270 nan 0.000 0.447 89 V N -1.133 118.832 119.914 0.086 0.000 2.715 89 V HA 0.241 4.361 4.120 -0.000 0.000 0.299 89 V C 0.134 176.270 176.094 0.070 0.000 1.054 89 V CA -0.367 61.976 62.300 0.072 0.000 1.077 89 V CB 0.830 32.685 31.823 0.053 0.000 0.972 89 V HN 0.834 nan 8.190 nan 0.000 0.484 90 E N 3.295 123.538 120.200 0.073 0.000 2.055 90 E HA 0.309 4.659 4.350 -0.000 0.000 0.274 90 E C 0.500 177.147 176.600 0.079 0.000 0.949 90 E CA -0.519 55.932 56.400 0.086 0.000 0.775 90 E CB 1.092 30.851 29.700 0.097 0.000 1.097 90 E HN 0.801 nan 8.360 nan 0.000 0.404 91 K N 2.954 123.400 120.400 0.076 0.000 2.167 91 K HA 0.043 4.363 4.320 -0.000 0.000 0.203 91 K C 0.288 176.938 176.600 0.084 0.000 1.052 91 K CA 0.727 57.054 56.287 0.065 0.000 0.956 91 K CB 0.286 32.816 32.500 0.050 0.000 0.735 91 K HN 0.317 nan 8.250 nan 0.000 0.451 92 R N 2.021 122.595 120.500 0.123 0.000 2.310 92 R HA 0.204 4.544 4.340 -0.000 0.000 0.316 92 R C -2.596 173.842 176.300 0.229 0.000 1.004 92 R CA -1.843 54.364 56.100 0.178 0.000 0.900 92 R CB 1.215 31.642 30.300 0.211 0.000 1.152 92 R HN 0.019 nan 8.270 nan 0.000 0.513 93 P HA -0.135 nan 4.420 nan 0.000 0.262 93 P C -0.557 176.725 177.300 -0.031 0.000 1.199 93 P CA 0.281 63.428 63.100 0.079 0.000 0.763 93 P CB 0.507 32.227 31.700 0.033 0.000 0.790 94 H N 7.383 126.373 119.070 -0.134 0.000 2.964 94 H HA 0.019 4.575 4.556 -0.000 0.000 0.328 94 H C -1.121 173.900 175.328 -0.512 0.000 1.030 94 H CA -1.261 54.511 56.048 -0.460 0.000 1.445 94 H CB 0.790 30.483 29.762 -0.114 0.000 1.449 94 H HN 0.311 nan 8.280 nan 0.000 0.581 95 P HA -0.131 nan 4.420 nan 0.000 0.221 95 P C 1.203 178.392 177.300 -0.185 0.000 1.145 95 P CA 0.963 63.817 63.100 -0.409 0.000 0.795 95 P CB 0.379 31.766 31.700 -0.520 0.000 0.775 96 L N -1.162 120.031 121.223 -0.051 0.000 2.607 96 L HA 0.152 4.492 4.340 -0.000 0.000 0.228 96 L C 0.856 177.578 176.870 -0.246 0.000 1.123 96 L CA -0.284 54.393 54.840 -0.271 0.000 0.890 96 L CB -0.746 41.001 42.059 -0.521 0.000 1.103 96 L HN -0.067 nan 8.230 nan 0.000 0.468 97 N N 1.204 119.859 118.700 -0.076 0.000 2.356 97 N HA 0.127 4.867 4.740 -0.000 0.000 0.252 97 N C 0.432 175.945 175.510 0.005 0.000 1.241 97 N CA -0.196 52.898 53.050 0.073 0.000 0.861 97 N CB 0.843 39.369 38.487 0.066 0.000 1.075 97 N HN 0.169 nan 8.380 nan 0.000 0.461 98 A N 2.781 125.606 122.820 0.008 0.000 2.406 98 A HA 0.164 4.484 4.320 -0.000 0.000 0.243 98 A C 0.471 178.041 177.584 -0.023 0.000 1.082 98 A CA -0.384 51.640 52.037 -0.023 0.000 0.786 98 A CB 0.172 19.151 19.000 -0.036 0.000 1.029 98 A HN 0.632 nan 8.150 nan 0.000 0.495 99 L N 1.477 122.684 121.223 -0.026 0.000 2.525 99 L HA 0.124 4.464 4.340 -0.000 0.000 0.278 99 L C 1.420 178.274 176.870 -0.027 0.000 1.218 99 L CA 0.027 54.852 54.840 -0.025 0.000 0.878 99 L CB -0.051 41.992 42.059 -0.025 0.000 1.127 99 L HN 0.960 nan 8.230 nan 0.000 0.492 100 T N -0.259 114.280 114.554 -0.025 0.000 2.816 100 T HA 0.381 4.731 4.350 -0.000 0.000 0.282 100 T C 1.211 175.892 174.700 -0.032 0.000 0.993 100 T CA -0.253 61.831 62.100 -0.026 0.000 0.994 100 T CB 1.482 70.338 68.868 -0.021 0.000 1.025 100 T HN 0.623 nan 8.240 nan 0.000 0.529 101 A N 0.757 123.558 122.820 -0.032 0.000 1.908 101 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 101 A C 2.075 179.634 177.584 -0.042 0.000 1.181 101 A CA 1.824 53.838 52.037 -0.039 0.000 0.627 101 A CB -1.092 17.888 19.000 -0.034 0.000 0.818 101 A HN 0.933 nan 8.150 nan 0.000 0.445 102 D N -0.374 120.005 120.400 -0.034 0.000 2.117 102 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 102 D C 1.899 178.178 176.300 -0.035 0.000 0.987 102 D CA 1.529 55.509 54.000 -0.032 0.000 0.829 102 D CB -0.335 40.451 40.800 -0.024 0.000 0.961 102 D HN 0.677 nan 8.370 nan 0.000 0.460 103 E N 0.355 120.536 120.200 -0.032 0.000 2.106 103 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 103 E C 2.397 178.971 176.600 -0.044 0.000 0.984 103 E CA 0.279 56.661 56.400 -0.031 0.000 0.806 103 E CB 0.074 29.759 29.700 -0.024 0.000 0.750 103 E HN 0.305 nan 8.360 nan 0.000 0.458 104 I N 1.341 121.877 120.570 -0.056 0.000 2.179 104 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 104 I C 2.258 178.308 176.117 -0.112 0.000 1.088 104 I CA 1.321 62.570 61.300 -0.085 0.000 1.357 104 I CB -0.178 37.769 38.000 -0.089 0.000 1.051 104 I HN 0.023 nan 8.210 nan 0.000 0.409 105 K N 0.106 120.450 120.400 -0.094 0.000 2.148 105 K HA -0.207 4.113 4.320 -0.000 0.000 0.204 105 K C 2.134 178.688 176.600 -0.078 0.000 1.050 105 K CA 0.964 57.193 56.287 -0.097 0.000 0.942 105 K CB -0.137 32.318 32.500 -0.075 0.000 0.724 105 K HN 0.377 nan 8.250 nan 0.000 0.446 106 Q N 0.679 120.446 119.800 -0.055 0.000 2.046 106 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 106 Q C 2.083 178.066 176.000 -0.029 0.000 0.975 106 Q CA 1.404 57.185 55.803 -0.036 0.000 0.836 106 Q CB -0.077 28.647 28.738 -0.023 0.000 0.896 106 Q HN 0.305 nan 8.270 nan 0.000 0.428 107 A N 0.068 122.870 122.820 -0.030 0.000 1.940 107 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 107 A C 2.172 179.754 177.584 -0.003 0.000 1.176 107 A CA 1.590 53.624 52.037 -0.004 0.000 0.631 107 A CB -0.661 18.334 19.000 -0.007 0.000 0.814 107 A HN 0.313 nan 8.150 nan 0.000 0.446 108 V N 0.048 119.909 119.914 -0.087 0.000 2.427 108 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 108 V C 2.329 178.384 176.094 -0.064 0.000 1.051 108 V CA 2.086 64.313 62.300 -0.121 0.000 1.048 108 V CB -0.800 30.835 31.823 -0.314 0.000 0.666 108 V HN 0.632 nan 8.190 nan 0.000 0.456 109 E N 0.047 120.207 120.200 -0.067 0.000 2.106 109 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 109 E C 2.201 178.782 176.600 -0.031 0.000 0.984 109 E CA 1.316 57.678 56.400 -0.064 0.000 0.806 109 E CB -0.167 29.503 29.700 -0.050 0.000 0.750 109 E HN 0.555 nan 8.360 nan 0.000 0.458 110 I N 1.130 121.707 120.570 0.012 0.000 2.179 110 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 110 I C 2.622 178.804 176.117 0.108 0.000 1.088 110 I CA 1.109 62.440 61.300 0.052 0.000 1.357 110 I CB -0.402 37.639 38.000 0.069 0.000 1.051 110 I HN 0.084 nan 8.210 nan 0.000 0.409 111 V N -1.885 118.137 119.914 0.181 0.000 2.871 111 V HA -0.111 4.009 4.120 -0.000 0.000 0.256 111 V C 2.097 178.318 176.094 0.211 0.000 1.082 111 V CA 1.223 63.751 62.300 0.381 0.000 1.105 111 V CB -0.803 31.367 31.823 0.579 0.000 0.713 111 V HN 0.322 nan 8.190 nan 0.000 0.473 112 K N 0.994 121.292 120.400 -0.169 0.000 2.288 112 K HA 0.233 4.553 4.320 -0.000 0.000 0.201 112 K C 2.201 178.686 176.600 -0.192 0.000 1.048 112 K CA 1.086 57.040 56.287 -0.555 0.000 0.956 112 K CB -0.198 31.955 32.500 -0.578 0.000 0.746 112 K HN 0.593 nan 8.250 nan 0.000 0.461 113 A N 1.052 123.829 122.820 -0.072 0.000 2.119 113 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 113 A C 1.199 178.768 177.584 -0.025 0.000 1.152 113 A CA 0.285 52.299 52.037 -0.038 0.000 0.708 113 A CB -0.006 18.981 19.000 -0.022 0.000 0.805 113 A HN 0.181 nan 8.150 nan 0.000 0.460 114 S N -0.529 115.165 115.700 -0.010 0.000 2.562 114 S HA 0.394 4.864 4.470 -0.000 0.000 0.281 114 S C 1.244 175.777 174.600 -0.111 0.000 1.333 114 S CA 0.038 58.176 58.200 -0.103 0.000 1.052 114 S CB 1.073 64.126 63.200 -0.245 0.000 0.884 114 S HN 0.753 nan 8.310 nan 0.000 0.506 115 A N 3.401 126.126 122.820 -0.158 0.000 2.168 115 A HA 0.032 4.352 4.320 -0.000 0.000 0.215 115 A C 1.455 178.946 177.584 -0.154 0.000 1.152 115 A CA 1.065 53.032 52.037 -0.116 0.000 0.716 115 A CB -0.304 18.632 19.000 -0.107 0.000 0.794 115 A HN 0.876 nan 8.150 nan 0.000 0.465 116 D N -1.465 118.725 120.400 -0.350 0.000 2.349 116 D HA 0.052 4.692 4.640 -0.000 0.000 0.215 116 D C -0.071 176.160 176.300 -0.115 0.000 1.016 116 D CA 0.023 53.795 54.000 -0.380 0.000 0.870 116 D CB -0.094 40.194 40.800 -0.853 0.000 0.917 116 D HN 0.422 nan 8.370 nan 0.000 0.524 117 F N 3.073 122.950 119.950 -0.123 0.000 2.494 117 F HA 0.062 4.589 4.527 -0.000 0.000 0.369 117 F C 0.665 176.525 175.800 0.100 0.000 1.098 117 F CA -0.481 57.630 58.000 0.184 0.000 1.154 117 F CB 0.332 39.456 39.000 0.207 0.000 1.103 117 F HN -0.452 nan 8.300 nan 0.000 0.549 118 K N 7.871 128.124 120.400 -0.245 0.000 2.237 118 K HA 0.160 4.480 4.320 -0.000 0.000 0.270 118 K C -1.579 174.974 176.600 -0.078 0.000 1.015 118 K CA -1.615 54.595 56.287 -0.128 0.000 0.949 118 K CB 0.580 32.987 32.500 -0.155 0.000 0.976 118 K HN 0.322 nan 8.250 nan 0.000 0.472 119 P HA -0.200 nan 4.420 nan 0.000 0.218 119 P C 0.008 177.390 177.300 0.137 0.000 1.165 119 P CA 1.708 64.893 63.100 0.141 0.000 0.922 119 P CB 0.138 31.887 31.700 0.083 0.000 0.794 120 N N -1.795 116.934 118.700 0.047 0.000 2.376 120 N HA 0.087 4.827 4.740 -0.000 0.000 0.249 120 N C -0.511 174.996 175.510 -0.005 0.000 1.140 120 N CA -0.130 52.953 53.050 0.055 0.000 0.870 120 N CB -0.110 38.406 38.487 0.049 0.000 1.124 120 N HN 0.099 nan 8.380 nan 0.000 0.505 121 T N 1.206 115.688 114.554 -0.120 0.000 2.928 121 T HA 0.125 4.475 4.350 -0.000 0.000 0.305 121 T C 0.722 175.298 174.700 -0.207 0.000 1.035 121 T CA 0.363 62.273 62.100 -0.317 0.000 1.145 121 T CB 0.937 69.270 68.868 -0.892 0.000 0.963 121 T HN 0.180 nan 8.240 nan 0.000 0.545 122 R N 0.914 121.276 120.500 -0.231 0.000 2.875 122 R HA 0.620 4.960 4.340 -0.000 0.000 0.251 122 R C -1.069 175.022 176.300 -0.347 0.000 1.123 122 R CA -0.765 55.288 56.100 -0.079 0.000 1.064 122 R CB 1.006 31.404 30.300 0.162 0.000 1.205 122 R HN 0.452 nan 8.270 nan 0.000 0.503 123 F N -0.050 119.982 119.950 0.136 0.000 2.445 123 F HA 0.189 4.716 4.527 -0.000 0.000 0.348 123 F C 1.383 177.251 175.800 0.113 0.000 1.125 123 F CA -0.747 57.316 58.000 0.105 0.000 0.983 123 F CB 1.870 40.925 39.000 0.092 0.000 1.198 123 F HN 0.623 nan 8.300 nan 0.000 0.436 124 T N -1.726 112.943 114.554 0.191 0.000 2.904 124 T HA 0.005 4.355 4.350 -0.000 0.000 0.267 124 T C 0.385 175.175 174.700 0.149 0.000 1.059 124 T CA 0.899 63.089 62.100 0.149 0.000 1.137 124 T CB 0.211 69.138 68.868 0.098 0.000 0.879 124 T HN 0.590 nan 8.240 nan 0.000 0.467 125 E N -0.504 119.797 120.200 0.167 0.000 2.381 125 E HA 0.501 4.851 4.350 -0.000 0.000 0.286 125 E C -2.001 174.683 176.600 0.139 0.000 0.960 125 E CA -0.718 55.760 56.400 0.130 0.000 0.793 125 E CB 1.811 31.561 29.700 0.082 0.000 1.225 125 E HN 0.365 nan 8.360 nan 0.000 0.420 126 I N 3.078 123.706 120.570 0.097 0.000 2.493 126 I HA 0.332 4.502 4.170 -0.000 0.000 0.279 126 I C -0.701 175.436 176.117 0.033 0.000 1.045 126 I CA -0.327 61.012 61.300 0.066 0.000 1.106 126 I CB 1.626 39.631 38.000 0.009 0.000 1.216 126 I HN 0.275 nan 8.210 nan 0.000 0.459 127 S N 4.554 120.276 115.700 0.036 0.000 2.667 127 S HA 0.577 5.047 4.470 -0.000 0.000 0.292 127 S C -0.716 173.890 174.600 0.010 0.000 1.126 127 S CA -0.667 57.544 58.200 0.018 0.000 0.881 127 S CB 2.416 65.630 63.200 0.025 0.000 1.132 127 S HN 0.452 nan 8.310 nan 0.000 0.492 128 L N 2.292 123.511 121.223 -0.007 0.000 2.453 128 L HA 0.384 4.724 4.340 -0.000 0.000 0.272 128 L C -0.606 176.260 176.870 -0.007 0.000 1.182 128 L CA -0.217 54.615 54.840 -0.013 0.000 0.858 128 L CB 0.083 42.123 42.059 -0.032 0.000 1.120 128 L HN 0.564 nan 8.230 nan 0.000 0.474 129 L N 8.855 130.077 121.223 -0.001 0.000 2.278 129 L HA 0.482 4.822 4.340 -0.000 0.000 0.287 129 L C -2.101 174.767 176.870 -0.003 0.000 1.072 129 L CA -1.959 52.884 54.840 0.004 0.000 0.819 129 L CB 0.057 42.123 42.059 0.013 0.000 1.176 129 L HN 0.570 nan 8.230 nan 0.000 0.435 130 P HA 0.067 nan 4.420 nan 0.000 0.258 130 P C -2.493 174.822 177.300 0.024 0.000 1.172 130 P CA -0.572 62.535 63.100 0.011 0.000 0.762 130 P CB -0.295 31.425 31.700 0.035 0.000 0.764 131 P HA 0.068 nan 4.420 nan 0.000 0.274 131 P C -0.509 176.815 177.300 0.040 0.000 1.260 131 P CA -0.133 62.974 63.100 0.011 0.000 0.793 131 P CB 0.229 31.916 31.700 -0.021 0.000 1.048 132 D N -0.981 119.438 120.400 0.032 0.000 2.389 132 D HA 0.047 4.687 4.640 -0.000 0.000 0.247 132 D C 1.082 177.379 176.300 -0.004 0.000 1.128 132 D CA -0.475 53.547 54.000 0.037 0.000 0.884 132 D CB 0.725 41.546 40.800 0.036 0.000 1.194 132 D HN 0.256 nan 8.370 nan 0.000 0.441 133 K N 2.029 122.374 120.400 -0.090 0.000 2.059 133 K HA -0.365 3.955 4.320 -0.000 0.000 0.212 133 K C 1.694 178.156 176.600 -0.231 0.000 1.050 133 K CA 1.930 57.953 56.287 -0.440 0.000 0.927 133 K CB -0.053 31.933 32.500 -0.857 0.000 0.714 133 K HN 0.710 nan 8.250 nan 0.000 0.447 134 E N -0.383 119.773 120.200 -0.074 0.000 2.070 134 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 134 E C 1.827 178.486 176.600 0.098 0.000 1.004 134 E CA 1.314 57.744 56.400 0.049 0.000 0.805 134 E CB -0.205 29.517 29.700 0.036 0.000 0.744 134 E HN 0.482 nan 8.360 nan 0.000 0.451 135 A N 0.410 123.267 122.820 0.061 0.000 1.902 135 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 135 A C 2.408 180.057 177.584 0.108 0.000 1.181 135 A CA 1.552 53.636 52.037 0.078 0.000 0.623 135 A CB -0.654 18.374 19.000 0.047 0.000 0.818 135 A HN 0.232 nan 8.150 nan 0.000 0.443 136 V N -2.211 117.744 119.914 0.069 0.000 2.295 136 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 136 V C 2.244 178.442 176.094 0.173 0.000 1.049 136 V CA 1.823 64.150 62.300 0.046 0.000 1.024 136 V CB -1.134 30.714 31.823 0.041 0.000 0.648 136 V HN 0.789 nan 8.190 nan 0.000 0.447 137 W N 0.001 121.388 121.300 0.145 0.000 2.342 137 W HA -0.173 4.487 4.660 -0.000 0.000 0.297 137 W C 2.602 179.182 176.519 0.101 0.000 1.213 137 W CA 0.979 58.404 57.345 0.134 0.000 1.251 137 W CB -0.233 29.262 29.460 0.058 0.000 1.136 137 W HN 0.220 nan 8.180 nan 0.000 0.526 138 A N -0.463 122.550 122.820 0.322 0.000 1.972 138 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 138 A C 1.638 179.322 177.584 0.165 0.000 1.169 138 A CA 1.489 53.641 52.037 0.192 0.000 0.635 138 A CB -1.146 17.933 19.000 0.132 0.000 0.810 138 A HN 0.410 nan 8.150 nan 0.000 0.446 139 F N 0.918 120.896 119.950 0.048 0.000 2.113 139 F HA 0.019 4.546 4.527 -0.000 0.000 0.297 139 F C 2.437 178.243 175.800 0.011 0.000 1.103 139 F CA 1.234 59.224 58.000 -0.016 0.000 1.248 139 F CB -0.425 38.501 39.000 -0.122 0.000 0.999 139 F HN 0.223 nan 8.300 nan 0.000 0.475 140 A N 0.237 123.253 122.820 0.326 0.000 1.968 140 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 140 A C 2.178 179.883 177.584 0.202 0.000 1.169 140 A CA 1.663 53.882 52.037 0.303 0.000 0.638 140 A CB -0.883 18.379 19.000 0.436 0.000 0.812 140 A HN 0.499 nan 8.150 nan 0.000 0.446 141 L N -1.882 119.466 121.223 0.208 0.000 2.408 141 L HA 0.119 4.459 4.340 -0.000 0.000 0.215 141 L C 1.568 178.459 176.870 0.034 0.000 1.081 141 L CA 0.701 55.616 54.840 0.125 0.000 0.840 141 L CB 0.037 42.167 42.059 0.119 0.000 1.002 141 L HN 0.368 nan 8.230 nan 0.000 0.468 142 E N -1.041 119.160 120.200 0.001 0.000 2.641 142 E HA 0.125 4.475 4.350 -0.000 0.000 0.224 142 E C -0.216 176.319 176.600 -0.108 0.000 0.951 142 E CA -0.173 56.204 56.400 -0.037 0.000 1.102 142 E CB 0.646 30.341 29.700 -0.008 0.000 1.091 142 E HN 0.214 nan 8.360 nan 0.000 0.507 143 N N 1.644 120.206 118.700 -0.230 0.000 2.753 143 N HA -0.203 4.537 4.740 -0.000 0.000 0.251 143 N C -0.112 175.231 175.510 -0.278 0.000 1.097 143 N CA 0.999 53.807 53.050 -0.404 0.000 0.786 143 N CB -0.951 37.380 38.487 -0.260 0.000 1.137 143 N HN 0.239 nan 8.380 nan 0.000 0.566 144 K N 1.773 122.093 120.400 -0.134 0.000 2.379 144 K HA 0.215 4.535 4.320 -0.000 0.000 0.284 144 K C -2.419 174.231 176.600 0.083 0.000 1.044 144 K CA -1.122 55.156 56.287 -0.016 0.000 0.974 144 K CB 0.701 33.216 32.500 0.025 0.000 0.962 144 K HN -0.158 nan 8.250 nan 0.000 0.474 145 P HA -0.059 nan 4.420 nan 0.000 0.268 145 P C -1.059 176.326 177.300 0.141 0.000 1.205 145 P CA -0.347 62.855 63.100 0.170 0.000 0.771 145 P CB 0.677 32.436 31.700 0.098 0.000 0.858 146 V N 3.804 123.797 119.914 0.133 0.000 2.356 146 V HA 0.017 4.137 4.120 -0.000 0.000 0.258 146 V C 1.051 177.167 176.094 0.037 0.000 1.065 146 V CA 0.398 62.732 62.300 0.058 0.000 0.935 146 V CB 0.111 31.926 31.823 -0.013 0.000 1.061 146 V HN 0.580 nan 8.190 nan 0.000 0.484 147 D N 5.314 125.737 120.400 0.037 0.000 3.085 147 D HA 0.144 4.784 4.640 -0.000 0.000 0.243 147 D C 0.056 176.368 176.300 0.020 0.000 1.232 147 D CA 0.093 54.110 54.000 0.028 0.000 0.913 147 D CB 0.180 40.997 40.800 0.029 0.000 1.108 147 D HN 0.669 nan 8.370 nan 0.000 0.468 148 Q N 1.257 121.065 119.800 0.013 0.000 2.289 148 Q HA 0.354 4.694 4.340 -0.000 0.000 0.270 148 Q C -2.394 173.608 176.000 0.003 0.000 1.038 148 Q CA -1.775 54.033 55.803 0.009 0.000 0.812 148 Q CB 2.628 31.371 28.738 0.009 0.000 1.300 148 Q HN 0.139 nan 8.270 nan 0.000 0.427 149 P HA -0.019 nan 4.420 nan 0.000 0.265 149 P C -0.615 176.684 177.300 -0.001 0.000 1.193 149 P CA -0.078 63.024 63.100 0.004 0.000 0.765 149 P CB 0.675 32.381 31.700 0.009 0.000 0.823 150 R N 3.126 123.622 120.500 -0.007 0.000 2.502 150 R HA 0.122 4.462 4.340 -0.000 0.000 0.292 150 R C 0.589 176.887 176.300 -0.002 0.000 0.998 150 R CA 0.552 56.644 56.100 -0.013 0.000 1.056 150 R CB 0.216 30.506 30.300 -0.017 0.000 0.939 150 R HN 0.529 nan 8.270 nan 0.000 0.411 151 K N 0.806 121.206 120.400 -0.000 0.000 2.395 151 K HA 0.659 4.979 4.320 -0.000 0.000 0.247 151 K C -1.017 175.589 176.600 0.011 0.000 0.973 151 K CA -0.768 55.526 56.287 0.011 0.000 0.828 151 K CB 2.450 34.960 32.500 0.017 0.000 1.272 151 K HN 0.612 nan 8.250 nan 0.000 0.439 152 A N 1.738 124.571 122.820 0.021 0.000 2.393 152 A HA 0.374 4.694 4.320 -0.000 0.000 0.306 152 A C -1.298 176.309 177.584 0.039 0.000 1.050 152 A CA -0.811 51.240 52.037 0.024 0.000 0.724 152 A CB 0.905 19.916 19.000 0.019 0.000 1.248 152 A HN 0.643 nan 8.150 nan 0.000 0.424 153 D N 1.383 121.807 120.400 0.040 0.000 2.308 153 D HA 0.417 5.057 4.640 -0.000 0.000 0.251 153 D C -0.683 175.658 176.300 0.068 0.000 1.127 153 D CA 0.373 54.403 54.000 0.051 0.000 0.876 153 D CB 1.773 42.603 40.800 0.050 0.000 1.176 153 D HN 0.158 nan 8.370 nan 0.000 0.446 154 V N 4.623 124.583 119.914 0.077 0.000 2.380 154 V HA 0.317 4.437 4.120 -0.000 0.000 0.286 154 V C 0.285 176.427 176.094 0.081 0.000 1.015 154 V CA -0.684 61.690 62.300 0.124 0.000 0.834 154 V CB 1.221 33.148 31.823 0.172 0.000 1.009 154 V HN 0.362 nan 8.190 nan 0.000 0.428 155 I N 5.755 126.387 120.570 0.104 0.000 2.321 155 I HA 0.488 4.658 4.170 -0.000 0.000 0.291 155 I C -0.041 176.081 176.117 0.009 0.000 0.998 155 I CA -0.111 61.216 61.300 0.045 0.000 1.227 155 I CB 1.460 39.518 38.000 0.098 0.000 1.368 155 I HN 0.458 nan 8.210 nan 0.000 0.466 156 M N 6.361 125.871 119.600 -0.150 0.000 2.644 156 M HA 0.493 4.973 4.480 -0.000 0.000 0.316 156 M C -1.113 175.047 176.300 -0.234 0.000 1.200 156 M CA -0.871 54.253 55.300 -0.293 0.000 0.944 156 M CB 2.534 34.851 32.600 -0.471 0.000 1.691 156 M HN 0.337 nan 8.290 nan 0.000 0.471 157 L N 2.255 123.336 121.223 -0.236 0.000 2.377 157 L HA 0.403 4.743 4.340 -0.000 0.000 0.270 157 L C -1.314 175.457 176.870 -0.165 0.000 0.991 157 L CA -0.159 54.593 54.840 -0.146 0.000 0.851 157 L CB 1.084 43.101 42.059 -0.069 0.000 1.218 157 L HN 0.583 nan 8.230 nan 0.000 0.420 158 D N 4.382 124.703 120.400 -0.132 0.000 2.485 158 D HA 0.564 5.204 4.640 -0.000 0.000 0.221 158 D C 1.019 177.329 176.300 0.017 0.000 1.112 158 D CA 0.835 54.767 54.000 -0.113 0.000 0.911 158 D CB 0.644 41.362 40.800 -0.137 0.000 1.019 158 D HN 0.841 nan 8.370 nan 0.000 0.516 159 G N 4.939 113.739 108.800 0.001 0.000 3.274 159 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.313 159 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.313 159 G C 0.824 175.730 174.900 0.009 0.000 1.295 159 G CA 0.782 45.904 45.100 0.037 0.000 1.004 159 G HN 0.674 nan 8.290 nan 0.000 0.614 160 K N 0.783 121.180 120.400 -0.005 0.000 2.477 160 K HA 0.405 4.725 4.320 -0.000 0.000 0.208 160 K C 0.097 176.528 176.600 -0.282 0.000 1.117 160 K CA 0.017 56.218 56.287 -0.144 0.000 1.039 160 K CB 0.448 32.834 32.500 -0.190 0.000 0.937 160 K HN 0.614 nan 8.250 nan 0.000 0.570 161 H N 1.176 120.184 119.070 -0.104 0.000 2.489 161 H HA 0.299 4.855 4.556 -0.000 0.000 0.322 161 H C -0.372 174.848 175.328 -0.180 0.000 1.091 161 H CA -0.665 55.297 56.048 -0.143 0.000 1.291 161 H CB 1.109 30.799 29.762 -0.120 0.000 1.436 161 H HN 0.010 nan 8.280 nan 0.000 0.480 162 I N 4.292 124.778 120.570 -0.140 0.000 2.365 162 I HA 0.162 4.332 4.170 -0.000 0.000 0.291 162 I C -0.271 175.723 176.117 -0.206 0.000 1.004 162 I CA -0.448 60.727 61.300 -0.208 0.000 1.311 162 I CB 0.492 38.265 38.000 -0.378 0.000 1.401 162 I HN 0.478 nan 8.210 nan 0.000 0.491 163 I N 6.028 126.449 120.570 -0.247 0.000 2.466 163 I HA 0.287 4.457 4.170 -0.000 0.000 0.289 163 I C 0.085 175.995 176.117 -0.345 0.000 1.026 163 I CA -0.433 60.654 61.300 -0.356 0.000 1.078 163 I CB 1.665 39.302 38.000 -0.606 0.000 1.249 163 I HN 0.429 nan 8.210 nan 0.000 0.429 164 E N 4.527 124.571 120.200 -0.259 0.000 2.156 164 E HA 0.783 5.133 4.350 -0.000 0.000 0.279 164 E C -0.774 175.707 176.600 -0.198 0.000 0.965 164 E CA -0.686 55.626 56.400 -0.148 0.000 0.789 164 E CB 1.814 31.503 29.700 -0.019 0.000 1.098 164 E HN 0.695 nan 8.360 nan 0.000 0.397 165 A N 2.665 125.397 122.820 -0.147 0.000 2.423 165 A HA 0.712 5.032 4.320 -0.000 0.000 0.304 165 A C -1.060 176.546 177.584 0.036 0.000 1.104 165 A CA -0.615 51.388 52.037 -0.056 0.000 0.757 165 A CB 1.614 20.568 19.000 -0.075 0.000 1.313 165 A HN 0.383 nan 8.150 nan 0.000 0.423 166 V N 1.293 121.256 119.914 0.081 0.000 2.588 166 V HA 0.621 4.741 4.120 -0.000 0.000 0.304 166 V C -0.446 175.703 176.094 0.091 0.000 1.042 166 V CA -0.468 61.877 62.300 0.074 0.000 0.877 166 V CB 1.611 33.471 31.823 0.061 0.000 0.996 166 V HN 1.192 nan 8.190 nan 0.000 0.425 167 V N 0.415 120.376 119.914 0.077 0.000 2.680 167 V HA 0.678 4.798 4.120 -0.000 0.000 0.309 167 V C -0.614 175.510 176.094 0.049 0.000 1.052 167 V CA -0.661 61.684 62.300 0.074 0.000 0.908 167 V CB 2.077 33.948 31.823 0.079 0.000 1.001 167 V HN 0.792 nan 8.190 nan 0.000 0.431 168 D N 3.195 123.622 120.400 0.044 0.000 2.380 168 D HA 0.349 4.989 4.640 -0.000 0.000 0.230 168 D C 0.845 177.159 176.300 0.023 0.000 1.154 168 D CA -0.065 53.954 54.000 0.030 0.000 0.859 168 D CB 1.522 42.340 40.800 0.029 0.000 1.045 168 D HN 0.665 nan 8.370 nan 0.000 0.495 169 L N 2.979 124.212 121.223 0.016 0.000 2.156 169 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 169 L C 2.451 179.325 176.870 0.006 0.000 1.095 169 L CA 0.621 55.466 54.840 0.009 0.000 0.770 169 L CB -0.139 41.922 42.059 0.002 0.000 0.914 169 L HN 0.489 nan 8.230 nan 0.000 0.439 170 Q N 0.259 120.063 119.800 0.006 0.000 2.083 170 Q HA -0.137 4.203 4.340 -0.000 0.000 0.198 170 Q C 1.457 177.462 176.000 0.008 0.000 0.969 170 Q CA 1.273 57.080 55.803 0.006 0.000 0.838 170 Q CB 0.257 28.998 28.738 0.006 0.000 0.900 170 Q HN 0.490 nan 8.270 nan 0.000 0.436 171 N N 0.610 119.317 118.700 0.011 0.000 2.280 171 N HA -0.024 4.716 4.740 -0.000 0.000 0.192 171 N C -0.530 174.988 175.510 0.013 0.000 1.109 171 N CA 0.286 53.343 53.050 0.012 0.000 0.855 171 N CB 0.250 38.745 38.487 0.014 0.000 0.974 171 N HN 0.249 nan 8.380 nan 0.000 0.482 172 N N 1.502 120.210 118.700 0.014 0.000 2.648 172 N HA -0.209 4.531 4.740 -0.000 0.000 0.265 172 N C -1.180 174.343 175.510 0.021 0.000 1.100 172 N CA 0.764 53.823 53.050 0.015 0.000 0.715 172 N CB -0.866 37.626 38.487 0.008 0.000 0.881 172 N HN 0.489 nan 8.380 nan 0.000 0.548 173 K N -0.685 119.733 120.400 0.031 0.000 2.551 173 K HA 0.565 4.885 4.320 -0.000 0.000 0.269 173 K C -1.272 175.362 176.600 0.058 0.000 0.949 173 K CA -1.237 55.073 56.287 0.038 0.000 0.849 173 K CB 1.056 33.574 32.500 0.031 0.000 1.411 173 K HN 0.027 nan 8.250 nan 0.000 0.432 174 L N 3.391 124.657 121.223 0.072 0.000 2.313 174 L HA 0.235 4.575 4.340 -0.000 0.000 0.282 174 L C 0.178 177.106 176.870 0.097 0.000 1.092 174 L CA -0.139 54.766 54.840 0.109 0.000 0.831 174 L CB 0.403 42.545 42.059 0.137 0.000 1.159 174 L HN 0.866 nan 8.230 nan 0.000 0.442 175 L N 3.113 124.396 121.223 0.100 0.000 2.298 175 L HA 0.236 4.576 4.340 -0.000 0.000 0.209 175 L C 0.470 177.401 176.870 0.101 0.000 1.084 175 L CA 0.577 55.466 54.840 0.083 0.000 0.816 175 L CB -0.221 41.877 42.059 0.065 0.000 0.967 175 L HN 0.833 nan 8.230 nan 0.000 0.460 176 S N -2.361 113.422 115.700 0.139 0.000 2.552 176 S HA 0.369 4.839 4.470 -0.000 0.000 0.272 176 S C -1.981 172.773 174.600 0.257 0.000 1.150 176 S CA -0.781 57.517 58.200 0.164 0.000 0.849 176 S CB 1.952 65.217 63.200 0.108 0.000 1.113 176 S HN 0.207 nan 8.310 nan 0.000 0.458 177 W N 2.544 123.866 121.300 0.037 0.000 2.664 177 W HA 0.409 5.069 4.660 -0.000 0.000 0.314 177 W C -1.806 174.727 176.519 0.023 0.000 1.010 177 W CA -0.242 57.125 57.345 0.037 0.000 1.306 177 W CB 1.601 31.084 29.460 0.038 0.000 1.254 177 W HN 0.803 nan 8.180 nan 0.000 0.404 178 Q N 5.866 125.667 119.800 0.003 0.000 2.339 178 Q HA 0.343 4.682 4.340 -0.000 0.000 0.268 178 Q C -2.348 173.610 176.000 -0.070 0.000 1.027 178 Q CA -1.809 54.006 55.803 0.021 0.000 0.759 178 Q CB 2.584 31.337 28.738 0.026 0.000 1.244 178 Q HN 0.178 nan 8.270 nan 0.000 0.464 179 P HA 0.130 nan 4.420 nan 0.000 0.268 179 P C -0.435 176.826 177.300 -0.065 0.000 1.205 179 P CA -0.098 62.971 63.100 -0.052 0.000 0.771 179 P CB 0.704 32.415 31.700 0.018 0.000 0.858 180 I N 2.571 123.069 120.570 -0.119 0.000 2.371 180 I HA 0.236 4.406 4.170 -0.000 0.000 0.282 180 I C 0.547 176.562 176.117 -0.170 0.000 1.031 180 I CA -1.197 60.012 61.300 -0.152 0.000 1.180 180 I CB 0.674 38.513 38.000 -0.268 0.000 1.336 180 I HN 0.261 nan 8.210 nan 0.000 0.467 181 K N 6.038 126.373 120.400 -0.108 0.000 2.448 181 K HA 0.028 4.348 4.320 -0.000 0.000 0.278 181 K C 0.573 177.078 176.600 -0.159 0.000 1.009 181 K CA 0.781 57.006 56.287 -0.103 0.000 0.995 181 K CB 0.256 32.723 32.500 -0.054 0.000 0.917 181 K HN 0.537 nan 8.250 nan 0.000 0.481 182 D N 0.355 120.635 120.400 -0.199 0.000 3.059 182 D HA -0.229 4.411 4.640 -0.000 0.000 0.213 182 D C -0.811 175.253 176.300 -0.394 0.000 1.144 182 D CA 1.510 55.348 54.000 -0.270 0.000 0.975 182 D CB -1.282 39.420 40.800 -0.163 0.000 1.125 182 D HN 0.590 nan 8.370 nan 0.000 0.412 183 A N 0.557 123.118 122.820 -0.433 0.000 2.290 183 A HA 0.503 4.823 4.320 -0.000 0.000 0.310 183 A C 0.098 177.359 177.584 -0.538 0.000 1.202 183 A CA -0.352 51.380 52.037 -0.507 0.000 0.837 183 A CB 0.904 19.434 19.000 -0.784 0.000 1.139 183 A HN 0.155 nan 8.150 nan 0.000 0.509 184 H N 0.946 119.875 119.070 -0.235 0.000 2.472 184 H HA 0.477 5.033 4.556 -0.000 0.000 0.335 184 H C 0.796 176.043 175.328 -0.135 0.000 1.136 184 H CA 0.391 56.330 56.048 -0.182 0.000 1.264 184 H CB 1.754 31.438 29.762 -0.131 0.000 1.486 184 H HN 0.845 nan 8.280 nan 0.000 0.517 185 G N 1.630 110.439 108.800 0.015 0.000 2.476 185 G HA2 0.378 4.338 3.960 -0.000 0.000 0.286 185 G HA3 0.378 4.338 3.960 -0.000 0.000 0.286 185 G C 0.667 175.573 174.900 0.010 0.000 1.177 185 G CA -0.729 44.381 45.100 0.017 0.000 0.870 185 G HN 0.652 nan 8.290 nan 0.000 0.528 186 M N 0.433 120.038 119.600 0.008 0.000 2.131 186 M HA 0.375 4.855 4.480 -0.000 0.000 0.283 186 M C -0.250 175.990 176.300 -0.099 0.000 1.225 186 M CA -0.233 55.026 55.300 -0.068 0.000 1.153 186 M CB 0.197 32.762 32.600 -0.058 0.000 1.380 186 M HN 0.114 nan 8.290 nan 0.000 0.458 187 V N 2.164 121.954 119.914 -0.207 0.000 2.583 187 V HA 0.314 4.434 4.120 -0.000 0.000 0.287 187 V C 0.347 176.448 176.094 0.012 0.000 1.051 187 V CA -0.382 61.829 62.300 -0.149 0.000 1.010 187 V CB 0.707 32.334 31.823 -0.327 0.000 0.988 187 V HN 0.645 nan 8.190 nan 0.000 0.478 188 L N 4.136 125.383 121.223 0.040 0.000 2.322 188 L HA 0.448 4.788 4.340 -0.000 0.000 0.269 188 L C 1.194 178.038 176.870 -0.042 0.000 1.012 188 L CA -0.786 54.039 54.840 -0.025 0.000 0.815 188 L CB 1.669 43.668 42.059 -0.100 0.000 1.295 188 L HN 0.510 nan 8.230 nan 0.000 0.438 189 L N 0.810 121.825 121.223 -0.347 0.000 2.021 189 L HA -0.263 4.077 4.340 -0.000 0.000 0.215 189 L C 2.191 178.903 176.870 -0.263 0.000 1.074 189 L CA 1.766 56.348 54.840 -0.430 0.000 0.760 189 L CB -0.520 41.250 42.059 -0.482 0.000 0.889 189 L HN 0.869 nan 8.230 nan 0.000 0.433 190 D N -0.811 119.282 120.400 -0.512 0.000 2.263 190 D HA -0.229 4.411 4.640 -0.000 0.000 0.208 190 D C 1.381 177.684 176.300 0.006 0.000 0.971 190 D CA 1.190 55.094 54.000 -0.161 0.000 0.867 190 D CB -0.502 40.256 40.800 -0.069 0.000 0.929 190 D HN 0.345 nan 8.370 nan 0.000 0.492 191 D N -0.183 120.243 120.400 0.044 0.000 2.219 191 D HA -0.099 4.541 4.640 -0.000 0.000 0.205 191 D C 1.730 178.087 176.300 0.095 0.000 0.970 191 D CA 0.465 54.500 54.000 0.058 0.000 0.851 191 D CB -0.388 40.424 40.800 0.020 0.000 0.943 191 D HN 0.253 nan 8.370 nan 0.000 0.488 192 F N 1.581 121.499 119.950 -0.052 0.000 2.146 192 F HA -0.066 4.460 4.527 -0.000 0.000 0.298 192 F C 2.537 178.313 175.800 -0.041 0.000 1.096 192 F CA 0.770 58.755 58.000 -0.025 0.000 1.275 192 F CB -0.848 38.150 39.000 -0.004 0.000 1.008 192 F HN -0.080 nan 8.300 nan 0.000 0.480 193 A N -0.647 122.272 122.820 0.165 0.000 1.898 193 A HA -0.124 4.195 4.320 -0.000 0.000 0.216 193 A C 2.397 179.995 177.584 0.023 0.000 1.181 193 A CA 1.785 53.866 52.037 0.073 0.000 0.620 193 A CB -1.104 17.933 19.000 0.062 0.000 0.819 193 A HN 0.298 nan 8.150 nan 0.000 0.442 194 S N -0.114 115.596 115.700 0.017 0.000 2.359 194 S HA -0.199 4.270 4.470 -0.000 0.000 0.222 194 S C 1.915 176.483 174.600 -0.053 0.000 1.038 194 S CA 1.667 59.858 58.200 -0.015 0.000 1.051 194 S CB -0.794 62.396 63.200 -0.016 0.000 0.944 194 S HN 0.341 nan 8.310 nan 0.000 0.433 195 V N 1.882 121.752 119.914 -0.074 0.000 2.278 195 V HA -0.277 3.843 4.120 -0.000 0.000 0.251 195 V C 2.660 178.666 176.094 -0.148 0.000 1.062 195 V CA 2.358 64.581 62.300 -0.128 0.000 1.038 195 V CB -0.799 30.931 31.823 -0.156 0.000 0.646 195 V HN 0.422 nan 8.190 nan 0.000 0.447 196 Q N 0.523 120.259 119.800 -0.106 0.000 2.079 196 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 196 Q C 2.100 178.043 176.000 -0.095 0.000 0.974 196 Q CA 2.097 57.834 55.803 -0.109 0.000 0.840 196 Q CB -0.598 28.100 28.738 -0.066 0.000 0.898 196 Q HN 0.678 nan 8.270 nan 0.000 0.430 197 N N -0.166 118.496 118.700 -0.063 0.000 2.188 197 N HA -0.098 4.642 4.740 -0.000 0.000 0.184 197 N C 1.734 177.207 175.510 -0.062 0.000 1.018 197 N CA 1.218 54.240 53.050 -0.047 0.000 0.858 197 N CB -0.032 38.441 38.487 -0.023 0.000 0.989 197 N HN 0.396 nan 8.380 nan 0.000 0.426 198 I N 0.317 120.835 120.570 -0.086 0.000 2.202 198 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 198 I C 2.000 178.035 176.117 -0.136 0.000 1.091 198 I CA 0.617 61.859 61.300 -0.096 0.000 1.368 198 I CB -0.133 37.803 38.000 -0.107 0.000 1.058 198 I HN 0.033 nan 8.210 nan 0.000 0.410 199 I N 1.153 121.588 120.570 -0.225 0.000 2.226 199 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 199 I C 2.077 178.108 176.117 -0.142 0.000 1.100 199 I CA 1.757 62.837 61.300 -0.366 0.000 1.374 199 I CB -0.748 36.861 38.000 -0.651 0.000 1.057 199 I HN 0.226 nan 8.210 nan 0.000 0.413 200 N N 0.238 118.887 118.700 -0.085 0.000 2.149 200 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 200 N C 0.945 176.459 175.510 0.008 0.000 1.019 200 N CA 1.303 54.345 53.050 -0.013 0.000 0.857 200 N CB -0.321 38.153 38.487 -0.021 0.000 0.997 200 N HN 0.520 nan 8.380 nan 0.000 0.426 201 N N -0.026 118.667 118.700 -0.010 0.000 2.314 201 N HA 0.018 4.758 4.740 -0.000 0.000 0.200 201 N C -0.547 174.971 175.510 0.012 0.000 1.135 201 N CA -0.248 52.803 53.050 0.001 0.000 0.835 201 N CB 0.511 38.993 38.487 -0.009 0.000 0.989 201 N HN -0.047 nan 8.380 nan 0.000 0.478 202 S N 1.626 117.344 115.700 0.030 0.000 2.410 202 S HA 0.041 4.511 4.470 -0.000 0.000 0.304 202 S C 1.329 175.985 174.600 0.093 0.000 1.095 202 S CA -0.800 57.437 58.200 0.061 0.000 1.089 202 S CB 0.624 63.873 63.200 0.083 0.000 0.968 202 S HN 0.229 nan 8.310 nan 0.000 0.480 203 E N 5.275 125.509 120.200 0.056 0.000 2.072 203 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 203 E C 1.115 177.740 176.600 0.043 0.000 0.985 203 E CA 1.388 57.813 56.400 0.041 0.000 0.801 203 E CB -0.586 29.127 29.700 0.022 0.000 0.750 203 E HN 0.868 nan 8.360 nan 0.000 0.452 204 E N 0.124 120.355 120.200 0.052 0.000 2.051 204 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 204 E C 1.958 178.587 176.600 0.049 0.000 0.991 204 E CA 1.221 57.645 56.400 0.040 0.000 0.799 204 E CB -0.417 29.309 29.700 0.045 0.000 0.748 204 E HN 0.228 nan 8.360 nan 0.000 0.449 205 F N 1.565 121.497 119.950 -0.031 0.000 2.134 205 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 205 F C 2.239 178.020 175.800 -0.032 0.000 1.097 205 F CA 1.398 59.377 58.000 -0.036 0.000 1.264 205 F CB -0.313 38.662 39.000 -0.042 0.000 1.001 205 F HN -0.047 nan 8.300 nan 0.000 0.479 206 A N 0.116 122.965 122.820 0.048 0.000 1.972 206 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 206 A C 2.378 179.899 177.584 -0.105 0.000 1.169 206 A CA 1.725 53.745 52.037 -0.028 0.000 0.635 206 A CB -1.458 17.564 19.000 0.037 0.000 0.810 206 A HN 0.487 nan 8.150 nan 0.000 0.446 207 A N -0.200 122.570 122.820 -0.083 0.000 1.872 207 A HA 0.249 4.569 4.320 -0.000 0.000 0.214 207 A C 2.499 180.004 177.584 -0.132 0.000 1.187 207 A CA 1.790 53.778 52.037 -0.082 0.000 0.614 207 A CB -1.008 17.963 19.000 -0.048 0.000 0.826 207 A HN 1.034 nan 8.150 nan 0.000 0.442 208 A N -0.513 122.193 122.820 -0.190 0.000 1.933 208 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 208 A C 2.199 179.609 177.584 -0.290 0.000 1.175 208 A CA 1.842 53.740 52.037 -0.231 0.000 0.628 208 A CB -0.807 18.028 19.000 -0.275 0.000 0.814 208 A HN 0.374 nan 8.150 nan 0.000 0.444 209 V N 0.038 119.711 119.914 -0.402 0.000 2.379 209 V HA -0.202 3.917 4.120 -0.000 0.000 0.245 209 V C 2.525 178.514 176.094 -0.175 0.000 1.044 209 V CA 2.294 64.390 62.300 -0.339 0.000 1.036 209 V CB -0.578 31.015 31.823 -0.385 0.000 0.664 209 V HN 0.634 nan 8.190 nan 0.000 0.453 210 K N 1.380 121.697 120.400 -0.138 0.000 2.063 210 K HA -0.237 4.083 4.320 -0.000 0.000 0.208 210 K C 2.144 178.701 176.600 -0.072 0.000 1.048 210 K CA 1.915 58.152 56.287 -0.083 0.000 0.928 210 K CB -0.476 31.985 32.500 -0.065 0.000 0.713 210 K HN 0.405 nan 8.250 nan 0.000 0.442 211 K N 0.365 120.714 120.400 -0.084 0.000 2.152 211 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 211 K C 1.197 177.763 176.600 -0.057 0.000 1.048 211 K CA 1.442 57.690 56.287 -0.065 0.000 0.933 211 K CB -0.021 32.436 32.500 -0.071 0.000 0.721 211 K HN 0.125 nan 8.250 nan 0.000 0.447 212 R N -0.768 119.688 120.500 -0.073 0.000 2.363 212 R HA 0.073 4.413 4.340 -0.000 0.000 0.236 212 R C 0.771 177.050 176.300 -0.035 0.000 0.966 212 R CA 0.451 56.519 56.100 -0.053 0.000 1.100 212 R CB 0.426 30.684 30.300 -0.069 0.000 1.125 212 R HN 0.546 nan 8.270 nan 0.000 0.514 213 G N 0.972 109.752 108.800 -0.034 0.000 2.195 213 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.246 213 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.246 213 G C 0.045 174.934 174.900 -0.019 0.000 0.984 213 G CA -0.444 44.644 45.100 -0.020 0.000 0.633 213 G HN 0.166 nan 8.290 nan 0.000 0.525 214 I N 2.625 123.176 120.570 -0.032 0.000 2.436 214 I HA 0.323 4.493 4.170 -0.000 0.000 0.289 214 I C 1.957 178.058 176.117 -0.027 0.000 1.083 214 I CA 0.924 62.208 61.300 -0.027 0.000 1.372 214 I CB 1.321 39.300 38.000 -0.036 0.000 1.408 214 I HN 0.294 nan 8.210 nan 0.000 0.516 215 T N 0.422 114.966 114.554 -0.018 0.000 2.942 215 T HA -0.006 4.344 4.350 -0.000 0.000 0.265 215 T C 0.649 175.341 174.700 -0.014 0.000 1.062 215 T CA 0.474 62.565 62.100 -0.015 0.000 1.139 215 T CB 0.047 68.909 68.868 -0.011 0.000 0.883 215 T HN 0.521 nan 8.240 nan 0.000 0.468 216 D N 0.619 121.013 120.400 -0.011 0.000 2.469 216 D HA 0.572 5.212 4.640 -0.000 0.000 0.251 216 D C 0.834 177.133 176.300 -0.002 0.000 1.173 216 D CA -0.356 53.640 54.000 -0.007 0.000 0.882 216 D CB 1.658 42.454 40.800 -0.006 0.000 1.129 216 D HN 0.175 nan 8.370 nan 0.000 0.549 217 A N 4.120 126.942 122.820 0.003 0.000 2.125 217 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 217 A C 1.667 179.269 177.584 0.030 0.000 1.156 217 A CA 0.956 53.006 52.037 0.021 0.000 0.671 217 A CB -0.118 18.901 19.000 0.031 0.000 0.794 217 A HN 0.546 nan 8.150 nan 0.000 0.459 218 K N -0.295 120.114 120.400 0.015 0.000 2.525 218 K HA 0.007 4.327 4.320 -0.000 0.000 0.192 218 K C 0.658 177.258 176.600 -0.001 0.000 1.029 218 K CA 0.686 56.978 56.287 0.008 0.000 1.029 218 K CB 0.039 32.541 32.500 0.004 0.000 0.814 218 K HN 0.418 nan 8.250 nan 0.000 0.503 219 K N 0.536 120.937 120.400 0.001 0.000 2.373 219 K HA 0.127 4.447 4.320 -0.000 0.000 0.202 219 K C -0.388 176.210 176.600 -0.004 0.000 1.025 219 K CA -0.123 56.161 56.287 -0.006 0.000 1.115 219 K CB 1.142 33.638 32.500 -0.006 0.000 0.858 219 K HN -0.147 nan 8.250 nan 0.000 0.525 220 V N 3.451 123.370 119.914 0.008 0.000 2.408 220 V HA 0.137 4.257 4.120 -0.000 0.000 0.267 220 V C -0.023 176.044 176.094 -0.045 0.000 1.047 220 V CA -0.421 61.892 62.300 0.021 0.000 0.937 220 V CB 0.656 32.543 31.823 0.107 0.000 0.999 220 V HN 0.153 nan 8.190 nan 0.000 0.472 221 I N 5.193 125.696 120.570 -0.112 0.000 2.331 221 I HA 0.369 4.539 4.170 -0.000 0.000 0.292 221 I C 0.731 176.724 176.117 -0.207 0.000 0.998 221 I CA 0.006 61.134 61.300 -0.288 0.000 1.267 221 I CB 1.494 39.051 38.000 -0.738 0.000 1.386 221 I HN 0.696 nan 8.210 nan 0.000 0.476 222 T N 1.975 116.410 114.554 -0.199 0.000 2.944 222 T HA 0.766 5.116 4.350 -0.000 0.000 0.284 222 T C 0.072 174.697 174.700 -0.125 0.000 1.010 222 T CA -0.610 61.401 62.100 -0.149 0.000 1.025 222 T CB 1.829 70.589 68.868 -0.180 0.000 1.079 222 T HN 0.685 nan 8.240 nan 0.000 0.516 223 T N -0.687 113.823 114.554 -0.073 0.000 2.881 223 T HA 0.627 4.977 4.350 -0.000 0.000 0.290 223 T C -3.321 171.313 174.700 -0.110 0.000 1.000 223 T CA -1.990 60.085 62.100 -0.042 0.000 0.978 223 T CB 1.530 70.470 68.868 0.120 0.000 0.997 223 T HN 0.434 nan 8.240 nan 0.000 0.443 224 P HA 0.504 nan 4.420 nan 0.000 0.291 224 P C -0.940 176.332 177.300 -0.046 0.000 1.340 224 P CA -0.527 62.421 63.100 -0.254 0.000 0.799 224 P CB 0.445 31.782 31.700 -0.606 0.000 0.917 225 L N 2.926 124.187 121.223 0.064 0.000 2.341 225 L HA 0.487 4.827 4.340 -0.000 0.000 0.278 225 L C 0.809 177.817 176.870 0.229 0.000 1.005 225 L CA -0.831 54.178 54.840 0.282 0.000 0.818 225 L CB 1.900 44.211 42.059 0.420 0.000 1.259 225 L HN 0.276 nan 8.230 nan 0.000 0.418 226 T N -1.259 113.478 114.554 0.305 0.000 2.926 226 T HA 0.136 4.486 4.350 -0.000 0.000 0.307 226 T C 1.041 175.847 174.700 0.176 0.000 1.059 226 T CA -0.556 61.633 62.100 0.147 0.000 1.122 226 T CB 1.444 70.394 68.868 0.138 0.000 0.972 226 T HN 0.503 nan 8.240 nan 0.000 0.545 227 V N -0.580 119.360 119.914 0.045 0.000 3.650 227 V HA 0.521 4.641 4.120 -0.000 0.000 0.271 227 V C 1.311 177.511 176.094 0.177 0.000 1.281 227 V CA 0.534 62.855 62.300 0.035 0.000 1.120 227 V CB -1.636 30.105 31.823 -0.136 0.000 0.856 227 V HN 1.621 nan 8.190 nan 0.000 0.443 228 G N 0.407 109.269 108.800 0.104 0.000 2.569 228 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.259 228 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.259 228 G C -0.665 174.221 174.900 -0.024 0.000 1.263 228 G CA 0.517 45.636 45.100 0.030 0.000 0.928 228 G HN 1.414 nan 8.290 nan 0.000 0.572 229 Y N -0.873 119.136 120.300 -0.485 0.000 2.470 229 Y HA 0.659 5.209 4.550 -0.000 0.000 0.341 229 Y C -0.505 174.724 175.900 -1.118 0.000 1.021 229 Y CA -1.483 56.278 58.100 -0.565 0.000 1.025 229 Y CB 1.416 39.596 38.460 -0.466 0.000 1.266 229 Y HN 0.531 nan 8.280 nan 0.000 0.448 230 F N 3.396 122.620 119.950 -1.211 0.000 2.811 230 F HA 0.210 4.737 4.527 -0.000 0.000 0.342 230 F C 0.422 175.474 175.800 -1.247 0.000 1.203 230 F CA -0.540 56.807 58.000 -1.089 0.000 1.173 230 F CB 0.403 39.189 39.000 -0.357 0.000 1.094 230 F HN 0.600 nan 8.300 nan 0.000 0.510 231 D N 1.015 120.236 120.400 -1.965 0.000 2.751 231 D HA -0.192 4.448 4.640 -0.000 0.000 0.233 231 D C 1.442 177.509 176.300 -0.389 0.000 1.149 231 D CA 1.612 55.025 54.000 -0.977 0.000 0.682 231 D CB -0.857 39.725 40.800 -0.364 0.000 1.068 231 D HN 0.767 nan 8.370 nan 0.000 0.429 232 G N -0.547 108.029 108.800 -0.373 0.000 2.268 232 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.240 232 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.240 232 G C 1.197 176.035 174.900 -0.103 0.000 1.010 232 G CA 0.567 45.573 45.100 -0.156 0.000 0.618 232 G HN 0.411 nan 8.290 nan 0.000 0.516 233 K N 1.358 121.702 120.400 -0.094 0.000 2.360 233 K HA -0.059 4.261 4.320 -0.000 0.000 0.201 233 K C 1.758 178.289 176.600 -0.114 0.000 1.046 233 K CA 1.623 57.866 56.287 -0.073 0.000 0.940 233 K CB -0.243 32.236 32.500 -0.034 0.000 0.748 233 K HN 0.796 nan 8.250 nan 0.000 0.465 234 D N -0.908 119.438 120.400 -0.091 0.000 2.349 234 D HA 0.044 4.684 4.640 -0.000 0.000 0.214 234 D C 0.987 177.255 176.300 -0.053 0.000 1.063 234 D CA 0.553 54.503 54.000 -0.082 0.000 0.847 234 D CB -0.067 40.728 40.800 -0.008 0.000 0.933 234 D HN 0.152 nan 8.370 nan 0.000 0.513 235 G N 0.809 109.574 108.800 -0.058 0.000 2.168 235 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.257 235 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.257 235 G C -0.014 174.859 174.900 -0.046 0.000 0.997 235 G CA 0.416 45.486 45.100 -0.049 0.000 0.708 235 G HN 0.422 nan 8.290 nan 0.000 0.520 236 L N -0.046 121.148 121.223 -0.047 0.000 2.295 236 L HA 0.424 4.764 4.340 -0.000 0.000 0.285 236 L C 0.921 177.773 176.870 -0.030 0.000 1.035 236 L CA -0.944 53.869 54.840 -0.045 0.000 0.806 236 L CB 1.591 43.618 42.059 -0.052 0.000 1.214 236 L HN 0.138 nan 8.230 nan 0.000 0.426 237 K N 2.004 122.389 120.400 -0.025 0.000 2.447 237 K HA -0.065 4.255 4.320 -0.000 0.000 0.281 237 K C 0.766 177.377 176.600 0.018 0.000 1.031 237 K CA -0.108 56.176 56.287 -0.004 0.000 1.019 237 K CB 0.890 33.384 32.500 -0.010 0.000 0.918 237 K HN 0.478 nan 8.250 nan 0.000 0.476 238 Q N 2.893 122.727 119.800 0.056 0.000 2.364 238 Q HA -0.166 4.174 4.340 -0.000 0.000 0.207 238 Q C 0.981 177.071 176.000 0.149 0.000 0.970 238 Q CA 1.734 57.607 55.803 0.117 0.000 0.888 238 Q CB 0.122 28.944 28.738 0.140 0.000 0.951 238 Q HN 0.771 nan 8.270 nan 0.000 0.469 239 D N -0.986 119.463 120.400 0.081 0.000 2.354 239 D HA 0.076 4.716 4.640 -0.000 0.000 0.209 239 D C -0.453 175.895 176.300 0.081 0.000 1.015 239 D CA 0.362 54.399 54.000 0.061 0.000 0.867 239 D CB 0.208 41.012 40.800 0.006 0.000 0.933 239 D HN 0.232 nan 8.370 nan 0.000 0.520 240 A N 1.128 123.977 122.820 0.048 0.000 2.328 240 A HA 0.355 4.675 4.320 -0.000 0.000 0.284 240 A C 0.347 177.902 177.584 -0.048 0.000 1.160 240 A CA -0.521 51.514 52.037 -0.003 0.000 0.818 240 A CB 0.422 19.403 19.000 -0.032 0.000 1.087 240 A HN 0.190 nan 8.150 nan 0.000 0.504 241 R N 3.177 123.644 120.500 -0.055 0.000 2.309 241 R HA 0.396 4.736 4.340 -0.000 0.000 0.331 241 R C -1.076 175.138 176.300 -0.143 0.000 1.116 241 R CA 0.128 56.157 56.100 -0.118 0.000 0.970 241 R CB -0.367 29.895 30.300 -0.062 0.000 1.024 241 R HN 0.711 nan 8.270 nan 0.000 0.472 242 L N 4.794 125.898 121.223 -0.199 0.000 2.286 242 L HA 0.671 5.011 4.340 -0.000 0.000 0.265 242 L C -0.482 176.287 176.870 -0.168 0.000 1.012 242 L CA -1.248 53.491 54.840 -0.167 0.000 0.818 242 L CB 1.768 43.729 42.059 -0.164 0.000 1.337 242 L HN 0.471 nan 8.230 nan 0.000 0.438 243 L N 0.822 121.950 121.223 -0.158 0.000 2.513 243 L HA 0.440 4.780 4.340 -0.000 0.000 0.261 243 L C -1.011 175.755 176.870 -0.173 0.000 0.945 243 L CA -0.700 54.052 54.840 -0.147 0.000 0.848 243 L CB 2.738 44.714 42.059 -0.139 0.000 1.334 243 L HN 0.530 nan 8.230 nan 0.000 0.407 244 K N 1.567 121.856 120.400 -0.184 0.000 2.130 244 K HA 0.670 4.990 4.320 -0.000 0.000 0.268 244 K C -1.113 175.409 176.600 -0.131 0.000 0.983 244 K CA -0.688 55.450 56.287 -0.249 0.000 0.893 244 K CB 2.450 34.609 32.500 -0.568 0.000 1.066 244 K HN 0.222 nan 8.250 nan 0.000 0.450 245 V N 4.657 124.486 119.914 -0.141 0.000 2.378 245 V HA 0.308 4.428 4.120 -0.000 0.000 0.288 245 V C -0.232 175.812 176.094 -0.083 0.000 1.016 245 V CA -0.900 61.327 62.300 -0.123 0.000 0.840 245 V CB 1.060 32.758 31.823 -0.208 0.000 0.994 245 V HN 0.609 nan 8.190 nan 0.000 0.431 246 I N 3.581 124.109 120.570 -0.070 0.000 2.392 246 I HA 0.516 4.686 4.170 -0.000 0.000 0.295 246 I C 0.476 176.460 176.117 -0.222 0.000 0.985 246 I CA 0.331 61.543 61.300 -0.146 0.000 1.221 246 I CB 1.879 39.776 38.000 -0.172 0.000 1.366 246 I HN 0.590 nan 8.210 nan 0.000 0.467 247 S N 5.562 121.080 115.700 -0.304 0.000 2.607 247 S HA 0.777 5.247 4.470 -0.000 0.000 0.303 247 S C -1.076 173.184 174.600 -0.567 0.000 1.086 247 S CA -0.468 57.571 58.200 -0.270 0.000 0.995 247 S CB 1.941 65.157 63.200 0.027 0.000 1.084 247 S HN 0.367 nan 8.310 nan 0.000 0.507 248 Y N 0.107 120.396 120.300 -0.018 0.000 2.609 248 Y HA 0.631 5.181 4.550 -0.000 0.000 0.342 248 Y C -0.796 175.130 175.900 0.042 0.000 1.058 248 Y CA -1.110 57.021 58.100 0.052 0.000 1.055 248 Y CB 1.058 39.569 38.460 0.085 0.000 1.292 248 Y HN 0.455 nan 8.280 nan 0.000 0.476 249 L N 2.389 123.785 121.223 0.290 0.000 2.280 249 L HA 0.429 4.769 4.340 -0.000 0.000 0.287 249 L C -0.791 176.161 176.870 0.136 0.000 1.023 249 L CA -0.450 54.481 54.840 0.151 0.000 0.819 249 L CB 0.665 42.784 42.059 0.100 0.000 1.212 249 L HN 0.608 nan 8.230 nan 0.000 0.420 250 D N 3.230 123.672 120.400 0.070 0.000 2.343 250 D HA 0.181 4.821 4.640 -0.000 0.000 0.255 250 D C 0.681 176.965 176.300 -0.028 0.000 1.187 250 D CA 0.087 54.125 54.000 0.064 0.000 0.875 250 D CB 1.168 41.988 40.800 0.034 0.000 1.136 250 D HN 0.377 nan 8.370 nan 0.000 0.469 251 V N 1.434 121.292 119.914 -0.094 0.000 3.319 251 V HA 0.488 4.608 4.120 -0.000 0.000 0.317 251 V C 1.283 177.338 176.094 -0.064 0.000 1.411 251 V CA 0.229 62.443 62.300 -0.144 0.000 1.112 251 V CB -0.108 31.510 31.823 -0.342 0.000 1.031 251 V HN 0.758 nan 8.190 nan 0.000 0.448 252 G N 2.254 111.042 108.800 -0.019 0.000 2.143 252 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.249 252 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.249 252 G C 0.265 175.155 174.900 -0.017 0.000 0.981 252 G CA 0.536 45.629 45.100 -0.012 0.000 0.665 252 G HN 0.835 nan 8.290 nan 0.000 0.528 253 D N -0.180 120.220 120.400 -0.000 0.000 2.328 253 D HA 0.381 5.021 4.640 -0.000 0.000 0.221 253 D C 1.793 178.025 176.300 -0.113 0.000 1.072 253 D CA 0.416 54.401 54.000 -0.025 0.000 0.850 253 D CB -0.583 40.248 40.800 0.050 0.000 0.922 253 D HN 1.514 nan 8.370 nan 0.000 0.516 254 G N 0.779 109.530 108.800 -0.082 0.000 2.166 254 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.260 254 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.260 254 G C 0.163 174.945 174.900 -0.198 0.000 0.986 254 G CA 0.317 45.327 45.100 -0.150 0.000 0.683 254 G HN 0.626 nan 8.290 nan 0.000 0.527 255 N N -0.389 118.270 118.700 -0.069 0.000 2.725 255 N HA 0.393 5.133 4.740 -0.000 0.000 0.248 255 N C 0.820 176.372 175.510 0.070 0.000 1.402 255 N CA -0.541 52.511 53.050 0.003 0.000 0.766 255 N CB -0.025 38.462 38.487 -0.000 0.000 1.223 255 N HN 0.344 nan 8.380 nan 0.000 0.515 256 Y N -0.317 120.006 120.300 0.038 0.000 2.574 256 Y HA 0.153 4.703 4.550 -0.000 0.000 0.294 256 Y C 0.872 176.653 175.900 -0.199 0.000 1.142 256 Y CA 0.144 58.254 58.100 0.016 0.000 1.314 256 Y CB -0.571 37.796 38.460 -0.155 0.000 0.991 256 Y HN 0.325 nan 8.280 nan 0.000 0.555 257 W N 1.060 122.118 121.300 -0.404 0.000 2.465 257 W HA 0.125 4.785 4.660 0.000 0.000 0.268 257 W C 2.145 178.696 176.519 0.054 0.000 1.242 257 W CA 1.113 58.224 57.345 -0.391 0.000 1.248 257 W CB -0.217 29.025 29.460 -0.363 0.000 1.118 257 W HN 0.164 nan 8.180 nan 0.000 0.587 258 A N -0.533 122.353 122.820 0.109 0.000 2.302 258 A HA 0.057 4.377 4.320 -0.000 0.000 0.219 258 A C 0.129 177.495 177.584 -0.363 0.000 1.243 258 A CA 0.422 52.502 52.037 0.072 0.000 0.856 258 A CB -0.695 18.217 19.000 -0.148 0.000 0.893 258 A HN 0.309 nan 8.150 nan 0.000 0.491 259 H N 0.232 119.563 119.070 0.435 0.000 2.511 259 H HA 0.215 4.770 4.556 -0.000 0.000 0.228 259 H C -3.025 172.549 175.328 0.410 0.000 1.424 259 H CA -1.951 54.312 56.048 0.357 0.000 1.321 259 H CB -0.048 29.876 29.762 0.270 0.000 1.720 259 H HN 0.330 nan 8.280 nan 0.000 0.512 260 P HA 0.105 nan 4.420 nan 0.000 0.271 260 P C 0.379 177.731 177.300 0.087 0.000 1.218 260 P CA -0.079 63.157 63.100 0.227 0.000 0.780 260 P CB 1.661 33.526 31.700 0.274 0.000 0.901 261 I N 1.633 122.160 120.570 -0.071 0.000 2.395 261 I HA 0.181 4.351 4.170 -0.000 0.000 0.282 261 I C 0.918 177.013 176.117 -0.037 0.000 1.107 261 I CA -0.651 60.630 61.300 -0.033 0.000 1.210 261 I CB 0.141 38.105 38.000 -0.060 0.000 1.456 261 I HN 0.278 nan 8.210 nan 0.000 0.504 262 E N 4.902 125.120 120.200 0.031 0.000 2.437 262 E HA 0.002 4.352 4.350 -0.000 0.000 0.263 262 E C 0.613 177.249 176.600 0.059 0.000 1.030 262 E CA 0.772 57.218 56.400 0.077 0.000 0.934 262 E CB 0.293 30.075 29.700 0.135 0.000 0.943 262 E HN 0.443 nan 8.360 nan 0.000 0.444 263 N N 1.038 119.790 118.700 0.086 0.000 2.800 263 N HA -0.232 4.508 4.740 -0.000 0.000 0.250 263 N C -1.015 174.516 175.510 0.035 0.000 1.078 263 N CA 0.604 53.699 53.050 0.075 0.000 0.804 263 N CB -1.247 37.282 38.487 0.070 0.000 1.135 263 N HN 0.277 nan 8.380 nan 0.000 0.565 264 L N 0.784 122.013 121.223 0.010 0.000 2.316 264 L HA 0.586 4.926 4.340 -0.000 0.000 0.280 264 L C -0.831 176.057 176.870 0.030 0.000 1.006 264 L CA -0.779 54.063 54.840 0.004 0.000 0.836 264 L CB 1.872 43.910 42.059 -0.035 0.000 1.221 264 L HN -0.098 nan 8.230 nan 0.000 0.418 265 V N 4.656 124.593 119.914 0.039 0.000 2.531 265 V HA 0.869 4.989 4.120 -0.000 0.000 0.301 265 V C 0.033 176.135 176.094 0.014 0.000 1.034 265 V CA -0.447 61.860 62.300 0.012 0.000 0.865 265 V CB 1.453 33.260 31.823 -0.028 0.000 0.995 265 V HN 0.928 nan 8.190 nan 0.000 0.424 266 A N 4.375 127.192 122.820 -0.004 0.000 2.317 266 A HA 0.878 5.198 4.320 -0.000 0.000 0.327 266 A C -0.750 176.756 177.584 -0.129 0.000 1.178 266 A CA -0.579 51.437 52.037 -0.035 0.000 0.817 266 A CB 1.587 20.536 19.000 -0.086 0.000 1.189 266 A HN 0.694 nan 8.150 nan 0.000 0.489 267 V N 3.157 122.998 119.914 -0.122 0.000 2.357 267 V HA 0.385 4.505 4.120 -0.000 0.000 0.284 267 V C -0.279 175.737 176.094 -0.131 0.000 1.018 267 V CA -0.441 61.768 62.300 -0.152 0.000 0.841 267 V CB 1.221 32.958 31.823 -0.143 0.000 0.991 267 V HN 0.633 nan 8.190 nan 0.000 0.437 268 V N 3.872 123.700 119.914 -0.144 0.000 2.435 268 V HA 0.401 4.521 4.120 -0.000 0.000 0.290 268 V C -0.165 175.862 176.094 -0.111 0.000 1.030 268 V CA -0.524 61.701 62.300 -0.126 0.000 0.881 268 V CB 1.999 33.736 31.823 -0.142 0.000 0.983 268 V HN 0.868 nan 8.190 nan 0.000 0.445 269 D N 4.202 124.548 120.400 -0.089 0.000 2.412 269 D HA 0.274 4.914 4.640 -0.000 0.000 0.224 269 D C 1.024 177.284 176.300 -0.067 0.000 1.093 269 D CA -0.252 53.703 54.000 -0.076 0.000 0.850 269 D CB 1.492 42.257 40.800 -0.059 0.000 1.046 269 D HN 0.439 nan 8.370 nan 0.000 0.507 270 L N 2.731 123.911 121.223 -0.071 0.000 2.127 270 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 270 L C 2.095 178.943 176.870 -0.036 0.000 1.089 270 L CA 1.031 55.837 54.840 -0.056 0.000 0.757 270 L CB -0.075 41.948 42.059 -0.059 0.000 0.899 270 L HN 0.446 nan 8.230 nan 0.000 0.434 271 E N -0.382 119.799 120.200 -0.032 0.000 2.122 271 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 271 E C 2.063 178.656 176.600 -0.013 0.000 0.977 271 E CA 0.587 56.978 56.400 -0.015 0.000 0.820 271 E CB 0.070 29.766 29.700 -0.007 0.000 0.770 271 E HN 0.590 nan 8.360 nan 0.000 0.462 272 Q N 0.562 120.350 119.800 -0.020 0.000 2.432 272 Q HA 0.013 4.353 4.340 -0.000 0.000 0.205 272 Q C -0.205 175.782 176.000 -0.022 0.000 0.945 272 Q CA 0.187 55.980 55.803 -0.018 0.000 0.924 272 Q CB 0.093 28.818 28.738 -0.021 0.000 1.016 272 Q HN 0.052 nan 8.270 nan 0.000 0.503 273 K N 1.427 121.810 120.400 -0.029 0.000 3.419 273 K HA -0.221 4.099 4.320 -0.000 0.000 0.272 273 K C -0.931 175.646 176.600 -0.038 0.000 0.973 273 K CA 0.880 57.147 56.287 -0.033 0.000 0.749 273 K CB -1.505 30.983 32.500 -0.020 0.000 1.403 273 K HN 0.358 nan 8.250 nan 0.000 0.456 274 K N -1.311 119.060 120.400 -0.048 0.000 2.625 274 K HA 0.404 4.724 4.320 -0.000 0.000 0.284 274 K C -0.739 175.824 176.600 -0.062 0.000 0.984 274 K CA -1.137 55.120 56.287 -0.050 0.000 0.865 274 K CB 1.004 33.484 32.500 -0.033 0.000 1.468 274 K HN 0.015 nan 8.250 nan 0.000 0.407 275 I N 2.596 123.128 120.570 -0.064 0.000 2.533 275 I HA 0.008 4.178 4.170 -0.000 0.000 0.284 275 I C 1.020 177.110 176.117 -0.045 0.000 1.109 275 I CA -0.505 60.755 61.300 -0.066 0.000 1.412 275 I CB 1.239 39.208 38.000 -0.052 0.000 1.396 275 I HN 0.589 nan 8.210 nan 0.000 0.543 276 V N 2.753 122.635 119.914 -0.053 0.000 3.319 276 V HA 0.413 4.533 4.120 -0.000 0.000 0.317 276 V C 0.134 176.204 176.094 -0.040 0.000 1.411 276 V CA -0.062 62.213 62.300 -0.043 0.000 1.112 276 V CB -0.526 31.269 31.823 -0.048 0.000 1.031 276 V HN 0.882 nan 8.190 nan 0.000 0.448 277 K N 0.616 120.994 120.400 -0.038 0.000 2.707 277 K HA 0.457 4.777 4.320 -0.000 0.000 0.275 277 K C -2.169 174.419 176.600 -0.020 0.000 1.060 277 K CA -0.559 55.708 56.287 -0.032 0.000 0.969 277 K CB 1.735 34.206 32.500 -0.049 0.000 1.379 277 K HN 0.273 nan 8.250 nan 0.000 0.409 278 I N 3.797 124.367 120.570 0.000 0.000 2.410 278 I HA 0.260 4.430 4.170 -0.000 0.000 0.286 278 I C -0.561 175.561 176.117 0.008 0.000 1.009 278 I CA -0.680 60.635 61.300 0.025 0.000 1.111 278 I CB 1.938 39.971 38.000 0.055 0.000 1.262 278 I HN 0.495 nan 8.210 nan 0.000 0.443 279 E N 6.542 126.746 120.200 0.006 0.000 2.134 279 E HA 0.390 4.740 4.350 -0.000 0.000 0.278 279 E C -0.982 175.627 176.600 0.016 0.000 0.959 279 E CA -0.562 55.843 56.400 0.009 0.000 0.783 279 E CB 1.667 31.374 29.700 0.012 0.000 1.095 279 E HN 0.491 nan 8.360 nan 0.000 0.399 280 E N 1.654 121.860 120.200 0.010 0.000 2.187 280 E HA 0.481 4.831 4.350 -0.000 0.000 0.268 280 E C -0.317 176.293 176.600 0.016 0.000 0.896 280 E CA -0.694 55.708 56.400 0.005 0.000 0.766 280 E CB 2.105 31.797 29.700 -0.014 0.000 1.142 280 E HN 0.560 nan 8.360 nan 0.000 0.408 281 G N 2.502 111.317 108.800 0.025 0.000 3.075 281 G HA2 0.509 4.469 3.960 -0.000 0.000 0.253 281 G HA3 0.509 4.469 3.960 -0.000 0.000 0.253 281 G C -2.604 172.312 174.900 0.027 0.000 1.353 281 G CA -1.521 43.600 45.100 0.036 0.000 1.051 281 G HN 0.250 nan 8.290 nan 0.000 0.553 282 P HA 0.176 nan 4.420 nan 0.000 0.265 282 P C -0.207 177.107 177.300 0.023 0.000 1.187 282 P CA -0.225 62.890 63.100 0.024 0.000 0.766 282 P CB 0.786 32.504 31.700 0.030 0.000 0.820 283 V N 4.584 124.505 119.914 0.012 0.000 2.508 283 V HA 0.131 4.251 4.120 -0.000 0.000 0.281 283 V C 0.397 176.502 176.094 0.018 0.000 1.041 283 V CA 0.077 62.382 62.300 0.008 0.000 1.016 283 V CB 1.071 32.892 31.823 -0.003 0.000 0.984 283 V HN 0.223 nan 8.190 nan 0.000 0.478 284 V N 6.896 126.825 119.914 0.025 0.000 2.483 284 V HA 0.367 4.487 4.120 -0.000 0.000 0.297 284 V C -2.299 173.818 176.094 0.038 0.000 1.027 284 V CA -1.906 60.415 62.300 0.035 0.000 0.855 284 V CB 1.836 33.690 31.823 0.051 0.000 0.995 284 V HN 0.761 nan 8.190 nan 0.000 0.424 285 P HA 0.057 nan 4.420 nan 0.000 0.264 285 P C -0.388 176.952 177.300 0.068 0.000 1.183 285 P CA 0.032 63.158 63.100 0.043 0.000 0.763 285 P CB 0.386 32.109 31.700 0.039 0.000 0.807 286 V N 6.619 126.579 119.914 0.076 0.000 2.521 286 V HA 0.090 4.210 4.120 -0.000 0.000 0.286 286 V C -1.859 174.330 176.094 0.158 0.000 1.034 286 V CA -1.233 61.139 62.300 0.119 0.000 1.045 286 V CB 0.191 32.082 31.823 0.113 0.000 0.974 286 V HN 0.567 nan 8.190 nan 0.000 0.480 287 P HA 0.133 nan 4.420 nan 0.000 0.265 287 P C 0.567 178.080 177.300 0.356 0.000 1.222 287 P CA 0.198 63.444 63.100 0.243 0.000 0.767 287 P CB 0.423 32.264 31.700 0.235 0.000 0.801 288 M N 0.320 120.070 119.600 0.249 0.000 2.534 288 M HA 0.037 4.517 4.480 -0.000 0.000 0.263 288 M C 0.509 176.938 176.300 0.215 0.000 1.152 288 M CA 0.721 56.130 55.300 0.182 0.000 1.145 288 M CB -0.948 31.702 32.600 0.084 0.000 1.333 288 M HN 0.166 nan 8.290 nan 0.000 0.477 289 T N 2.841 117.542 114.554 0.246 0.000 2.849 289 T HA 0.161 4.511 4.350 -0.000 0.000 0.289 289 T C 0.436 175.316 174.700 0.301 0.000 1.010 289 T CA -0.091 62.146 62.100 0.229 0.000 1.161 289 T CB 0.177 69.179 68.868 0.223 0.000 0.989 289 T HN 0.363 nan 8.240 nan 0.000 0.523 290 A N 4.639 127.577 122.820 0.196 0.000 2.520 290 A HA 0.345 4.665 4.320 -0.000 0.000 0.245 290 A C 0.780 178.451 177.584 0.145 0.000 1.072 290 A CA -0.206 51.939 52.037 0.180 0.000 0.761 290 A CB 0.192 19.241 19.000 0.082 0.000 1.004 290 A HN 0.662 nan 8.150 nan 0.000 0.499 291 R N 2.896 123.470 120.500 0.125 0.000 2.738 291 R HA 0.266 4.606 4.340 -0.000 0.000 0.280 291 R C -2.977 173.271 176.300 -0.086 0.000 1.456 291 R CA -1.830 54.272 56.100 0.004 0.000 1.612 291 R CB 0.508 30.788 30.300 -0.034 0.000 1.286 291 R HN 0.594 nan 8.270 nan 0.000 0.660 292 P HA 0.049 nan 4.420 nan 0.000 0.269 292 P C 0.095 177.270 177.300 -0.210 0.000 1.215 292 P CA -0.045 62.907 63.100 -0.247 0.000 0.780 292 P CB 0.437 32.020 31.700 -0.196 0.000 0.898 293 F N -0.591 119.283 119.950 -0.126 0.000 2.746 293 F HA 0.258 4.785 4.527 -0.000 0.000 0.320 293 F C 0.748 176.487 175.800 -0.101 0.000 1.097 293 F CA -0.500 57.412 58.000 -0.146 0.000 1.195 293 F CB -0.971 37.906 39.000 -0.204 0.000 1.056 293 F HN 0.086 nan 8.300 nan 0.000 0.562 294 D N -0.156 120.137 120.400 -0.178 0.000 2.325 294 D HA 0.265 4.905 4.640 -0.000 0.000 0.225 294 D C 1.879 178.158 176.300 -0.035 0.000 1.096 294 D CA 0.385 54.358 54.000 -0.044 0.000 0.844 294 D CB -0.097 40.617 40.800 -0.143 0.000 0.925 294 D HN 0.472 nan 8.370 nan 0.000 0.513 295 G N 1.760 110.538 108.800 -0.036 0.000 2.184 295 G HA2 -0.464 3.496 3.960 -0.000 0.000 0.264 295 G HA3 -0.464 3.496 3.960 -0.000 0.000 0.264 295 G C 1.255 176.134 174.900 -0.036 0.000 0.975 295 G CA 0.501 45.586 45.100 -0.025 0.000 0.642 295 G HN 0.595 nan 8.290 nan 0.000 0.536 296 R N 0.553 121.018 120.500 -0.058 0.000 2.170 296 R HA -0.079 4.261 4.340 -0.000 0.000 0.242 296 R C 1.328 177.607 176.300 -0.035 0.000 1.145 296 R CA 1.976 58.046 56.100 -0.051 0.000 0.984 296 R CB -0.415 29.842 30.300 -0.070 0.000 0.869 296 R HN 0.470 nan 8.270 nan 0.000 0.455 297 D N -0.214 120.165 120.400 -0.034 0.000 2.501 297 D HA 0.133 4.773 4.640 -0.000 0.000 0.226 297 D C -0.259 176.034 176.300 -0.012 0.000 1.198 297 D CA -0.372 53.616 54.000 -0.020 0.000 0.830 297 D CB 0.316 41.104 40.800 -0.019 0.000 1.014 297 D HN 0.038 nan 8.370 nan 0.000 0.496 298 R N -0.419 120.073 120.500 -0.012 0.000 2.867 298 R HA 0.663 5.003 4.340 -0.000 0.000 0.268 298 R C -1.107 175.190 176.300 -0.004 0.000 1.014 298 R CA -1.005 55.092 56.100 -0.006 0.000 0.946 298 R CB 2.360 32.656 30.300 -0.006 0.000 1.208 298 R HN -0.121 nan 8.270 nan 0.000 0.477 299 V N 1.087 121.001 119.914 -0.000 0.000 2.447 299 V HA 0.426 4.546 4.120 -0.000 0.000 0.292 299 V C -0.001 176.095 176.094 0.003 0.000 1.021 299 V CA -1.078 61.223 62.300 0.001 0.000 0.850 299 V CB 1.536 33.361 31.823 0.003 0.000 1.005 299 V HN 0.923 nan 8.190 nan 0.000 0.426 300 A N 6.410 129.232 122.820 0.002 0.000 2.407 300 A HA 0.707 5.027 4.320 -0.000 0.000 0.248 300 A C -2.049 175.537 177.584 0.004 0.000 1.082 300 A CA -0.749 51.290 52.037 0.003 0.000 0.785 300 A CB -0.279 18.723 19.000 0.003 0.000 1.020 300 A HN 0.719 nan 8.150 nan 0.000 0.489 301 P HA 0.413 nan 4.420 nan 0.000 0.271 301 P C -0.248 177.055 177.300 0.005 0.000 1.218 301 P CA -0.050 63.053 63.100 0.005 0.000 0.780 301 P CB 0.815 32.518 31.700 0.006 0.000 0.901 302 A N 2.416 125.239 122.820 0.005 0.000 2.477 302 A HA 0.401 4.721 4.320 -0.000 0.000 0.246 302 A C -0.176 177.410 177.584 0.004 0.000 1.078 302 A CA 0.029 52.069 52.037 0.005 0.000 0.770 302 A CB -0.066 18.937 19.000 0.005 0.000 1.011 302 A HN 0.392 nan 8.150 nan 0.000 0.494 303 V N 4.115 124.032 119.914 0.004 0.000 2.656 303 V HA 0.280 4.400 4.120 -0.000 0.000 0.307 303 V C -0.172 175.924 176.094 0.004 0.000 1.051 303 V CA -1.177 61.125 62.300 0.003 0.000 0.893 303 V CB 1.965 33.790 31.823 0.003 0.000 0.999 303 V HN 0.919 nan 8.190 nan 0.000 0.426 304 K N 4.622 125.023 120.400 0.002 0.000 2.355 304 K HA 0.274 4.594 4.320 -0.000 0.000 0.270 304 K C -2.077 174.525 176.600 0.003 0.000 1.003 304 K CA -1.097 55.191 56.287 0.002 0.000 0.957 304 K CB 0.395 32.895 32.500 -0.001 0.000 0.939 304 K HN 0.512 nan 8.250 nan 0.000 0.482 305 P HA 0.126 nan 4.420 nan 0.000 0.271 305 P C -0.654 176.650 177.300 0.008 0.000 1.218 305 P CA -0.184 62.921 63.100 0.009 0.000 0.780 305 P CB 0.773 32.482 31.700 0.014 0.000 0.901 306 M N 1.997 121.603 119.600 0.009 0.000 2.267 306 M HA 0.284 4.764 4.480 -0.000 0.000 0.289 306 M C -1.503 174.806 176.300 0.016 0.000 1.043 306 M CA -0.357 54.948 55.300 0.008 0.000 0.928 306 M CB 2.250 34.851 32.600 0.001 0.000 1.613 306 M HN 0.326 nan 8.290 nan 0.000 0.450 307 Q N 4.421 124.235 119.800 0.023 0.000 2.375 307 Q HA 0.637 4.977 4.340 -0.000 0.000 0.271 307 Q C -1.411 174.613 176.000 0.040 0.000 1.074 307 Q CA -0.729 55.098 55.803 0.040 0.000 0.808 307 Q CB 3.401 32.178 28.738 0.065 0.000 1.327 307 Q HN 0.737 nan 8.270 nan 0.000 0.441 308 I N 4.324 124.923 120.570 0.048 0.000 2.355 308 I HA 0.439 4.609 4.170 -0.000 0.000 0.288 308 I C -0.341 175.822 176.117 0.076 0.000 0.999 308 I CA -0.674 60.656 61.300 0.049 0.000 1.163 308 I CB 0.909 38.935 38.000 0.044 0.000 1.316 308 I HN 0.510 nan 8.210 nan 0.000 0.454 309 I N 2.695 123.301 120.570 0.059 0.000 2.646 309 I HA 0.604 4.774 4.170 -0.000 0.000 0.299 309 I C -0.864 175.224 176.117 -0.049 0.000 1.036 309 I CA -0.553 60.778 61.300 0.051 0.000 1.074 309 I CB 2.310 40.352 38.000 0.070 0.000 1.258 309 I HN 0.507 nan 8.210 nan 0.000 0.430 310 E N 5.700 125.842 120.200 -0.097 0.000 2.873 310 E HA 0.246 4.596 4.350 -0.000 0.000 0.232 310 E C -2.151 174.259 176.600 -0.317 0.000 1.123 310 E CA -1.530 54.790 56.400 -0.133 0.000 0.809 310 E CB 1.339 31.026 29.700 -0.023 0.000 1.366 310 E HN 0.557 nan 8.360 nan 0.000 0.400 311 P HA -0.157 nan 4.420 nan 0.000 0.228 311 P C 0.355 177.471 177.300 -0.307 0.000 1.151 311 P CA 1.066 63.608 63.100 -0.931 0.000 0.770 311 P CB 0.430 31.663 31.700 -0.779 0.000 0.786 312 E N -0.585 119.508 120.200 -0.177 0.000 2.501 312 E HA 0.349 4.699 4.350 -0.000 0.000 0.201 312 E C 0.809 177.380 176.600 -0.047 0.000 1.016 312 E CA -0.047 56.308 56.400 -0.076 0.000 0.920 312 E CB 0.448 30.109 29.700 -0.064 0.000 1.023 312 E HN 0.205 nan 8.360 nan 0.000 0.474 313 G N 1.401 110.173 108.800 -0.047 0.000 2.566 313 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.599 313 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.599 313 G C -0.897 173.945 174.900 -0.098 0.000 1.292 313 G CA -0.987 44.086 45.100 -0.044 0.000 0.922 313 G HN -0.069 nan 8.290 nan 0.000 0.514 314 K N -0.040 120.237 120.400 -0.206 0.000 2.090 314 K HA 0.386 4.706 4.320 -0.000 0.000 0.249 314 K C 1.254 177.699 176.600 -0.259 0.000 0.995 314 K CA -0.570 55.494 56.287 -0.372 0.000 0.914 314 K CB 0.645 32.527 32.500 -1.031 0.000 1.057 314 K HN 0.574 nan 8.250 nan 0.000 0.462 315 N N -0.281 118.354 118.700 -0.109 0.000 2.422 315 N HA -0.035 4.705 4.740 -0.000 0.000 0.181 315 N C -0.398 175.246 175.510 0.223 0.000 1.080 315 N CA 0.259 53.374 53.050 0.110 0.000 0.893 315 N CB 0.029 38.688 38.487 0.286 0.000 0.973 315 N HN 0.467 nan 8.380 nan 0.000 0.456 316 Y N -1.102 119.346 120.300 0.247 0.000 2.453 316 Y HA 0.667 5.217 4.550 -0.000 0.000 0.326 316 Y C -0.124 175.798 175.900 0.037 0.000 1.186 316 Y CA -1.061 57.144 58.100 0.175 0.000 1.200 316 Y CB 0.669 39.169 38.460 0.067 0.000 1.247 316 Y HN -0.345 nan 8.280 nan 0.000 0.482 317 T N 3.529 118.203 114.554 0.200 0.000 2.861 317 T HA 0.565 4.915 4.350 -0.000 0.000 0.287 317 T C -0.738 173.972 174.700 0.017 0.000 1.003 317 T CA -0.600 61.533 62.100 0.056 0.000 0.977 317 T CB 0.853 69.772 68.868 0.084 0.000 0.996 317 T HN 0.593 nan 8.240 nan 0.000 0.448 318 I N 3.022 123.532 120.570 -0.100 0.000 2.390 318 I HA 0.272 4.442 4.170 -0.000 0.000 0.283 318 I C -0.038 176.101 176.117 0.036 0.000 1.016 318 I CA -0.568 60.674 61.300 -0.096 0.000 1.151 318 I CB 1.387 39.248 38.000 -0.231 0.000 1.293 318 I HN 0.508 nan 8.210 nan 0.000 0.458 319 T N 5.172 119.746 114.554 0.032 0.000 2.753 319 T HA 0.489 4.839 4.350 -0.000 0.000 0.297 319 T C 0.906 175.644 174.700 0.064 0.000 0.981 319 T CA 0.297 62.441 62.100 0.072 0.000 0.956 319 T CB 1.377 70.283 68.868 0.063 0.000 0.936 319 T HN 1.007 nan 8.240 nan 0.000 0.463 320 G N 4.231 113.085 108.800 0.090 0.000 2.620 320 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.315 320 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.315 320 G C 0.407 175.301 174.900 -0.010 0.000 1.179 320 G CA 0.566 45.697 45.100 0.050 0.000 0.971 320 G HN 0.664 nan 8.290 nan 0.000 0.544 321 D N 1.139 121.468 120.400 -0.117 0.000 2.433 321 D HA 0.233 4.873 4.640 -0.000 0.000 0.211 321 D C 0.994 177.019 176.300 -0.460 0.000 1.114 321 D CA 0.045 53.844 54.000 -0.335 0.000 0.837 321 D CB 0.247 40.701 40.800 -0.576 0.000 0.984 321 D HN 0.385 nan 8.370 nan 0.000 0.505 322 M N 1.230 120.687 119.600 -0.239 0.000 2.180 322 M HA 0.323 4.803 4.480 -0.000 0.000 0.358 322 M C -0.004 176.134 176.300 -0.271 0.000 1.233 322 M CA 0.167 55.341 55.300 -0.210 0.000 1.114 322 M CB 1.830 34.442 32.600 0.020 0.000 1.594 322 M HN -0.287 nan 8.290 nan 0.000 0.467 323 I N 2.836 123.093 120.570 -0.522 0.000 2.406 323 I HA 0.307 4.477 4.170 -0.000 0.000 0.290 323 I C -0.330 175.575 176.117 -0.354 0.000 0.999 323 I CA -0.622 60.340 61.300 -0.564 0.000 1.124 323 I CB 1.219 38.562 38.000 -1.094 0.000 1.289 323 I HN 0.641 nan 8.210 nan 0.000 0.441 324 H N 6.399 125.396 119.070 -0.123 0.000 2.489 324 H HA 0.317 4.873 4.556 -0.000 0.000 0.343 324 H C -2.160 173.312 175.328 0.240 0.000 1.086 324 H CA -0.586 55.492 56.048 0.049 0.000 1.198 324 H CB 1.958 31.744 29.762 0.041 0.000 1.490 324 H HN 0.744 nan 8.280 nan 0.000 0.504 325 W N 8.784 129.719 121.300 -0.607 0.000 3.268 325 W HA 0.302 4.962 4.660 -0.000 0.000 0.330 325 W C -0.671 175.693 176.519 -0.259 0.000 1.074 325 W CA -0.449 56.720 57.345 -0.293 0.000 1.263 325 W CB 0.454 29.907 29.460 -0.012 0.000 1.250 325 W HN 0.899 nan 8.180 nan 0.000 0.425 326 R N 2.513 122.568 120.500 -0.742 0.000 3.923 326 R HA -0.358 3.982 4.340 -0.000 0.000 0.400 326 R C 0.604 176.617 176.300 -0.477 0.000 0.241 326 R CA 1.896 57.593 56.100 -0.672 0.000 1.284 326 R CB -1.322 28.372 30.300 -1.009 0.000 1.006 326 R HN 0.802 nan 8.270 nan 0.000 0.559 327 N N -0.155 118.203 118.700 -0.570 0.000 2.398 327 N HA 0.060 4.800 4.740 -0.000 0.000 0.188 327 N C -0.129 174.977 175.510 -0.674 0.000 1.122 327 N CA -0.028 52.591 53.050 -0.717 0.000 0.866 327 N CB 0.108 37.810 38.487 -1.307 0.000 0.970 327 N HN 0.207 nan 8.380 nan 0.000 0.462 328 W N 1.283 122.440 121.300 -0.238 0.000 2.381 328 W HA 0.369 5.029 4.660 -0.000 0.000 0.329 328 W C -0.188 176.379 176.519 0.081 0.000 1.157 328 W CA -0.581 56.784 57.345 0.033 0.000 1.240 328 W CB 1.000 30.605 29.460 0.242 0.000 1.199 328 W HN -0.181 nan 8.180 nan 0.000 0.579 329 D N 2.610 123.331 120.400 0.535 0.000 2.970 329 D HA 0.351 4.991 4.640 -0.000 0.000 0.230 329 D C -1.111 175.473 176.300 0.475 0.000 1.276 329 D CA -0.287 53.942 54.000 0.381 0.000 0.910 329 D CB 2.002 43.005 40.800 0.339 0.000 1.590 329 D HN 0.229 nan 8.370 nan 0.000 0.551 330 F N -0.833 119.169 119.950 0.088 0.000 2.711 330 F HA 0.456 4.983 4.527 -0.000 0.000 0.313 330 F C -1.389 174.398 175.800 -0.022 0.000 1.141 330 F CA -0.997 57.027 58.000 0.040 0.000 0.941 330 F CB 1.642 40.610 39.000 -0.055 0.000 1.349 330 F HN 0.157 nan 8.300 nan 0.000 0.464 331 H N 2.066 121.122 119.070 -0.023 0.000 2.466 331 H HA 0.645 5.200 4.556 -0.000 0.000 0.338 331 H C -2.007 173.216 175.328 -0.175 0.000 1.091 331 H CA -0.747 55.145 56.048 -0.261 0.000 1.207 331 H CB 2.085 31.544 29.762 -0.506 0.000 1.466 331 H HN 0.804 nan 8.280 nan 0.000 0.493 332 L N 5.164 126.025 121.223 -0.603 0.000 2.298 332 L HA 0.348 4.688 4.340 -0.000 0.000 0.284 332 L C -0.725 175.884 176.870 -0.435 0.000 1.013 332 L CA -0.174 54.452 54.840 -0.356 0.000 0.824 332 L CB 1.101 43.017 42.059 -0.239 0.000 1.221 332 L HN 0.700 nan 8.230 nan 0.000 0.418 333 S N 4.157 119.711 115.700 -0.242 0.000 2.667 333 S HA 0.854 5.324 4.470 -0.000 0.000 0.292 333 S C -0.678 173.807 174.600 -0.192 0.000 1.126 333 S CA -0.914 57.188 58.200 -0.163 0.000 0.881 333 S CB 1.789 64.990 63.200 0.001 0.000 1.132 333 S HN 0.600 nan 8.310 nan 0.000 0.492 334 M N 2.529 122.034 119.600 -0.159 0.000 2.456 334 M HA 0.517 4.997 4.480 -0.000 0.000 0.324 334 M C -1.105 175.108 176.300 -0.145 0.000 1.124 334 M CA -0.473 54.714 55.300 -0.189 0.000 0.959 334 M CB 1.698 34.211 32.600 -0.145 0.000 1.692 334 M HN 0.882 nan 8.290 nan 0.000 0.444 335 N N 1.211 119.809 118.700 -0.171 0.000 2.258 335 N HA 0.272 5.012 4.740 -0.000 0.000 0.299 335 N C 0.050 175.523 175.510 -0.062 0.000 1.047 335 N CA 0.111 53.104 53.050 -0.095 0.000 0.814 335 N CB 1.760 40.196 38.487 -0.084 0.000 1.413 335 N HN 0.859 nan 8.380 nan 0.000 0.478 336 S N 3.161 118.860 115.700 -0.002 0.000 2.419 336 S HA -0.130 4.340 4.470 -0.000 0.000 0.233 336 S C 1.698 176.339 174.600 0.068 0.000 1.016 336 S CA 0.706 58.932 58.200 0.045 0.000 0.974 336 S CB 0.047 63.284 63.200 0.062 0.000 0.786 336 S HN 0.725 nan 8.310 nan 0.000 0.492 337 R N 0.964 121.489 120.500 0.041 0.000 2.048 337 R HA 0.085 4.425 4.340 -0.000 0.000 0.221 337 R C 2.158 178.496 176.300 0.064 0.000 1.174 337 R CA 1.485 57.609 56.100 0.040 0.000 0.971 337 R CB -0.230 30.052 30.300 -0.030 0.000 0.863 337 R HN 0.441 nan 8.270 nan 0.000 0.439 338 V N -1.674 118.256 119.914 0.025 0.000 3.650 338 V HA 0.431 4.551 4.120 -0.000 0.000 0.271 338 V C 0.900 176.834 176.094 -0.267 0.000 1.281 338 V CA 0.431 62.724 62.300 -0.012 0.000 1.120 338 V CB -0.230 31.615 31.823 0.037 0.000 0.856 338 V HN 0.693 nan 8.190 nan 0.000 0.443 339 G N 1.328 109.885 108.800 -0.405 0.000 2.488 339 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.237 339 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.237 339 G C -2.524 171.913 174.900 -0.771 0.000 1.209 339 G CA -0.175 44.325 45.100 -1.000 0.000 0.929 339 G HN 0.625 nan 8.290 nan 0.000 0.578 340 P HA 0.350 nan 4.420 nan 0.000 0.268 340 P C -0.492 176.501 177.300 -0.511 0.000 1.204 340 P CA 0.564 63.315 63.100 -0.581 0.000 0.768 340 P CB 0.511 31.910 31.700 -0.502 0.000 0.842 341 M N 3.684 123.026 119.600 -0.430 0.000 2.197 341 M HA 0.372 4.852 4.480 -0.000 0.000 0.301 341 M C -0.338 175.726 176.300 -0.394 0.000 0.987 341 M CA -0.904 54.149 55.300 -0.412 0.000 0.921 341 M CB 1.989 34.419 32.600 -0.283 0.000 1.569 341 M HN 0.124 nan 8.290 nan 0.000 0.431 342 I N 2.639 122.901 120.570 -0.514 0.000 2.304 342 I HA 0.415 4.585 4.170 -0.000 0.000 0.291 342 I C -0.003 175.966 176.117 -0.246 0.000 1.018 342 I CA -0.005 61.087 61.300 -0.347 0.000 1.260 342 I CB 0.633 38.321 38.000 -0.520 0.000 1.390 342 I HN 0.614 nan 8.210 nan 0.000 0.475 343 S N 3.090 118.712 115.700 -0.130 0.000 2.599 343 S HA 0.511 4.981 4.470 -0.000 0.000 0.294 343 S C 0.019 174.520 174.600 -0.164 0.000 1.094 343 S CA -0.642 57.392 58.200 -0.277 0.000 0.931 343 S CB 1.863 64.815 63.200 -0.414 0.000 1.093 343 S HN 0.814 nan 8.310 nan 0.000 0.488 344 T N -1.502 112.804 114.554 -0.413 0.000 3.433 344 T HA -0.154 4.196 4.350 -0.000 0.000 0.412 344 T C -0.145 174.698 174.700 0.238 0.000 0.768 344 T CA 0.014 61.921 62.100 -0.322 0.000 2.077 344 T CB -2.463 66.319 68.868 -0.144 0.000 1.700 344 T HN 0.458 nan 8.240 nan 0.000 0.666 345 V N 2.804 122.929 119.914 0.352 0.000 2.432 345 V HA 0.685 4.805 4.120 -0.000 0.000 0.271 345 V C 1.114 177.582 176.094 0.623 0.000 1.046 345 V CA 0.185 62.786 62.300 0.501 0.000 0.945 345 V CB 1.190 33.248 31.823 0.392 0.000 0.992 345 V HN 1.043 nan 8.190 nan 0.000 0.471 346 T N 2.049 116.968 114.554 0.608 0.000 2.906 346 T HA 0.648 4.998 4.350 -0.000 0.000 0.295 346 T C -1.225 173.742 174.700 0.445 0.000 1.075 346 T CA -0.755 61.639 62.100 0.491 0.000 1.005 346 T CB 1.925 71.025 68.868 0.386 0.000 1.136 346 T HN 0.407 nan 8.240 nan 0.000 0.498 347 Y N 1.540 121.951 120.300 0.186 0.000 2.331 347 Y HA 0.464 5.014 4.550 -0.000 0.000 0.334 347 Y C 0.029 175.976 175.900 0.078 0.000 0.960 347 Y CA -1.203 56.876 58.100 -0.035 0.000 1.130 347 Y CB 1.403 39.786 38.460 -0.128 0.000 1.164 347 Y HN 0.925 nan 8.280 nan 0.000 0.458 348 N N 4.749 123.355 118.700 -0.156 0.000 2.421 348 N HA -0.014 4.726 4.740 -0.000 0.000 0.260 348 N C -1.189 174.412 175.510 0.151 0.000 1.173 348 N CA -0.229 52.829 53.050 0.015 0.000 0.960 348 N CB 0.110 38.568 38.487 -0.049 0.000 1.273 348 N HN 0.576 nan 8.380 nan 0.000 0.497 349 D N 3.219 123.830 120.400 0.351 0.000 2.422 349 D HA 0.037 4.677 4.640 -0.000 0.000 0.227 349 D C -0.003 176.412 176.300 0.190 0.000 1.190 349 D CA -0.107 54.134 54.000 0.402 0.000 0.905 349 D CB -0.200 40.850 40.800 0.418 0.000 1.034 349 D HN 0.631 nan 8.370 nan 0.000 0.507 350 N N 3.526 122.307 118.700 0.136 0.000 2.714 350 N HA -0.265 4.475 4.740 -0.000 0.000 0.252 350 N C 0.914 176.453 175.510 0.047 0.000 1.014 350 N CA 1.858 54.949 53.050 0.068 0.000 0.735 350 N CB -1.012 37.511 38.487 0.061 0.000 0.924 350 N HN 0.740 nan 8.380 nan 0.000 0.540 351 G N -2.750 106.076 108.800 0.044 0.000 2.259 351 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 351 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 351 G C 0.170 175.093 174.900 0.037 0.000 1.001 351 G CA 0.209 45.327 45.100 0.030 0.000 0.627 351 G HN 0.687 nan 8.290 nan 0.000 0.501 352 T N 2.285 116.872 114.554 0.055 0.000 2.779 352 T HA 0.537 4.887 4.350 -0.000 0.000 0.280 352 T C -0.095 174.657 174.700 0.087 0.000 0.987 352 T CA -0.456 61.675 62.100 0.052 0.000 0.966 352 T CB 1.646 70.532 68.868 0.030 0.000 0.933 352 T HN 0.284 nan 8.240 nan 0.000 0.442 353 K N 3.631 124.080 120.400 0.081 0.000 2.316 353 K HA 0.322 4.642 4.320 -0.000 0.000 0.289 353 K C 0.123 176.785 176.600 0.104 0.000 1.070 353 K CA -0.228 56.130 56.287 0.118 0.000 0.928 353 K CB 0.882 33.456 32.500 0.123 0.000 1.039 353 K HN 0.362 nan 8.250 nan 0.000 0.480 354 R N 2.679 123.282 120.500 0.173 0.000 2.514 354 R HA 0.218 4.557 4.340 -0.000 0.000 0.301 354 R C -0.379 176.036 176.300 0.191 0.000 0.962 354 R CA -0.849 55.340 56.100 0.150 0.000 0.882 354 R CB 1.573 31.990 30.300 0.195 0.000 1.143 354 R HN 0.361 nan 8.270 nan 0.000 0.452 355 K N 1.128 121.536 120.400 0.012 0.000 2.436 355 K HA 0.036 4.356 4.320 -0.000 0.000 0.275 355 K C 0.253 176.943 176.600 0.150 0.000 0.999 355 K CA -0.074 56.175 56.287 -0.065 0.000 0.980 355 K CB 0.867 33.091 32.500 -0.459 0.000 0.919 355 K HN 0.312 nan 8.250 nan 0.000 0.484 356 V N 1.681 121.726 119.914 0.218 0.000 3.279 356 V HA 0.144 4.264 4.120 -0.000 0.000 0.213 356 V C -0.173 175.960 176.094 0.066 0.000 1.335 356 V CA 0.008 62.332 62.300 0.039 0.000 1.317 356 V CB 0.481 32.353 31.823 0.081 0.000 1.209 356 V HN 0.769 nan 8.190 nan 0.000 0.525 357 M N -1.124 118.627 119.600 0.251 0.000 2.224 357 M HA 0.370 4.849 4.480 -0.000 0.000 0.281 357 M C -0.121 176.343 176.300 0.274 0.000 1.025 357 M CA -0.566 54.851 55.300 0.195 0.000 0.954 357 M CB 2.159 34.783 32.600 0.040 0.000 1.639 357 M HN 0.290 nan 8.290 nan 0.000 0.461 358 Y N 3.970 124.354 120.300 0.141 0.000 2.153 358 Y HA 0.179 4.729 4.550 -0.000 0.000 0.289 358 Y C -0.291 175.463 175.900 -0.243 0.000 1.127 358 Y CA 1.671 59.668 58.100 -0.171 0.000 1.131 358 Y CB 0.550 38.894 38.460 -0.192 0.000 0.995 358 Y HN 0.620 nan 8.280 nan 0.000 0.505 359 E N -1.127 118.911 120.200 -0.270 0.000 2.321 359 E HA 0.532 4.882 4.350 -0.000 0.000 0.278 359 E C -1.204 175.272 176.600 -0.208 0.000 0.902 359 E CA -0.408 55.788 56.400 -0.341 0.000 0.758 359 E CB 1.941 31.435 29.700 -0.344 0.000 1.213 359 E HN 0.268 nan 8.360 nan 0.000 0.426 360 G N 0.766 109.414 108.800 -0.252 0.000 2.682 360 G HA2 0.652 4.612 3.960 -0.000 0.000 0.300 360 G HA3 0.652 4.612 3.960 -0.000 0.000 0.300 360 G C -0.886 173.818 174.900 -0.328 0.000 1.391 360 G CA -0.371 44.619 45.100 -0.182 0.000 0.990 360 G HN 0.522 nan 8.290 nan 0.000 0.501 361 S N 0.575 116.257 115.700 -0.031 0.000 2.643 361 S HA 0.589 5.059 4.470 -0.000 0.000 0.266 361 S C -1.270 173.561 174.600 0.384 0.000 1.130 361 S CA -0.823 57.380 58.200 0.005 0.000 0.817 361 S CB 1.009 64.115 63.200 -0.158 0.000 1.107 361 S HN 1.608 nan 8.310 nan 0.000 0.471 362 L N 1.990 123.402 121.223 0.315 0.000 2.453 362 L HA 0.635 4.975 4.340 -0.000 0.000 0.272 362 L C 1.206 178.104 176.870 0.047 0.000 1.182 362 L CA 1.380 56.293 54.840 0.123 0.000 0.858 362 L CB 0.373 42.373 42.059 -0.098 0.000 1.120 362 L HN 1.020 nan 8.230 nan 0.000 0.474 363 G N 2.772 111.567 108.800 -0.008 0.000 2.524 363 G HA2 0.494 4.454 3.960 -0.000 0.000 0.210 363 G HA3 0.494 4.454 3.960 -0.000 0.000 0.210 363 G C 0.343 175.289 174.900 0.076 0.000 1.187 363 G CA 0.472 45.627 45.100 0.091 0.000 0.825 363 G HN 1.117 nan 8.290 nan 0.000 0.558 364 G N -1.004 107.748 108.800 -0.080 0.000 2.466 364 G HA2 0.568 4.528 3.960 -0.000 0.000 0.291 364 G HA3 0.568 4.528 3.960 -0.000 0.000 0.291 364 G C -1.061 173.797 174.900 -0.070 0.000 1.460 364 G CA -0.331 44.715 45.100 -0.091 0.000 0.791 364 G HN 0.792 nan 8.290 nan 0.000 0.505 365 M N -0.559 119.070 119.600 0.049 0.000 2.622 365 M HA 0.895 5.375 4.480 -0.000 0.000 0.276 365 M C -1.743 174.664 176.300 0.178 0.000 1.265 365 M CA -1.091 54.280 55.300 0.119 0.000 0.850 365 M CB 2.768 35.401 32.600 0.055 0.000 1.720 365 M HN 0.764 nan 8.290 nan 0.000 0.465 366 I N 1.381 122.035 120.570 0.140 0.000 2.752 366 I HA 0.626 4.796 4.170 -0.000 0.000 0.295 366 I C -1.841 174.320 176.117 0.074 0.000 1.219 366 I CA -0.908 60.478 61.300 0.144 0.000 1.030 366 I CB 2.560 40.648 38.000 0.148 0.000 1.259 366 I HN 0.657 nan 8.210 nan 0.000 0.423 367 V N 8.270 128.275 119.914 0.151 0.000 2.266 367 V HA 0.381 4.501 4.120 -0.000 0.000 0.266 367 V C -2.330 173.832 176.094 0.113 0.000 1.036 367 V CA -1.155 61.211 62.300 0.111 0.000 0.828 367 V CB 0.798 32.784 31.823 0.271 0.000 1.081 367 V HN 0.541 nan 8.190 nan 0.000 0.449 368 P HA 0.386 nan 4.420 nan 0.000 0.284 368 P C -1.359 176.026 177.300 0.142 0.000 1.253 368 P CA -0.292 62.927 63.100 0.198 0.000 0.800 368 P CB 1.533 33.425 31.700 0.320 0.000 0.961 369 Y N 0.103 120.515 120.300 0.186 0.000 2.488 369 Y HA 0.515 5.065 4.550 -0.000 0.000 0.325 369 Y C 1.791 177.767 175.900 0.127 0.000 1.204 369 Y CA 0.044 58.243 58.100 0.166 0.000 1.229 369 Y CB 1.209 39.776 38.460 0.178 0.000 1.274 369 Y HN 0.473 nan 8.280 nan 0.000 0.493 370 G N -0.172 108.699 108.800 0.118 0.000 3.453 370 G HA2 0.003 3.962 3.960 -0.000 0.000 0.263 370 G HA3 0.003 3.962 3.960 -0.000 0.000 0.263 370 G C -0.558 174.258 174.900 -0.140 0.000 1.060 370 G CA -0.093 44.982 45.100 -0.041 0.000 0.793 370 G HN 0.509 nan 8.290 nan 0.000 0.532 371 D N 1.101 121.432 120.400 -0.115 0.000 2.232 371 D HA 0.217 4.857 4.640 -0.000 0.000 0.242 371 D C -1.433 174.723 176.300 -0.240 0.000 1.093 371 D CA -1.760 51.989 54.000 -0.419 0.000 0.845 371 D CB 2.920 43.492 40.800 -0.380 0.000 1.124 371 D HN 0.028 nan 8.370 nan 0.000 0.467 372 P HA 0.022 nan 4.420 nan 0.000 0.240 372 P C -0.108 177.227 177.300 0.058 0.000 1.190 372 P CA -0.056 62.970 63.100 -0.124 0.000 0.781 372 P CB 0.628 32.199 31.700 -0.215 0.000 0.931 373 D N 0.365 120.805 120.400 0.067 0.000 2.364 373 D HA -0.059 4.581 4.640 -0.000 0.000 0.236 373 D C 1.579 178.091 176.300 0.352 0.000 1.221 373 D CA -0.155 53.965 54.000 0.201 0.000 0.891 373 D CB 0.580 41.506 40.800 0.211 0.000 1.190 373 D HN -0.122 nan 8.370 nan 0.000 0.449 374 I N 1.154 121.909 120.570 0.308 0.000 2.229 374 I HA -0.203 3.967 4.170 -0.000 0.000 0.250 374 I C 1.908 178.209 176.117 0.306 0.000 1.096 374 I CA 1.902 63.407 61.300 0.342 0.000 1.358 374 I CB -0.359 37.762 38.000 0.202 0.000 1.047 374 I HN 0.487 nan 8.210 nan 0.000 0.422 375 G N -2.450 106.492 108.800 0.237 0.000 3.141 375 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.218 375 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.218 375 G C 0.580 175.166 174.900 -0.524 0.000 1.170 375 G CA 0.101 45.193 45.100 -0.013 0.000 0.769 375 G HN 0.533 nan 8.290 nan 0.000 0.546 376 W N -1.475 119.672 121.300 -0.255 0.000 2.977 376 W HA 0.192 4.852 4.660 -0.000 0.000 0.236 376 W C 1.939 178.176 176.519 -0.471 0.000 1.053 376 W CA -0.390 56.681 57.345 -0.458 0.000 1.375 376 W CB -0.396 28.934 29.460 -0.216 0.000 0.814 376 W HN 0.208 nan 8.180 nan 0.000 0.713 377 Y N 0.954 121.248 120.300 -0.010 0.000 2.298 377 Y HA -0.261 4.289 4.550 -0.000 0.000 0.287 377 Y C 1.651 177.597 175.900 0.077 0.000 1.164 377 Y CA 1.471 59.588 58.100 0.028 0.000 1.229 377 Y CB -1.771 36.691 38.460 0.003 0.000 0.977 377 Y HN 0.072 nan 8.280 nan 0.000 0.538 378 F N 0.214 119.893 119.950 -0.452 0.000 2.749 378 F HA 0.372 4.899 4.527 -0.000 0.000 0.300 378 F C 0.944 176.704 175.800 -0.066 0.000 1.103 378 F CA -1.165 56.761 58.000 -0.122 0.000 1.342 378 F CB -0.531 38.231 39.000 -0.396 0.000 1.098 378 F HN -0.167 nan 8.300 nan 0.000 0.586 379 K N 2.371 122.236 120.400 -0.892 0.000 2.245 379 K HA 0.449 4.769 4.320 -0.000 0.000 0.281 379 K C -0.781 175.552 176.600 -0.446 0.000 1.079 379 K CA 0.256 56.047 56.287 -0.827 0.000 1.000 379 K CB -0.322 31.596 32.500 -0.971 0.000 1.038 379 K HN 0.373 nan 8.250 nan 0.000 0.430 380 A N 5.582 128.113 122.820 -0.482 0.000 2.679 380 A HA 0.289 4.609 4.320 -0.000 0.000 0.288 380 A C -1.776 175.724 177.584 -0.140 0.000 1.160 380 A CA -0.733 51.181 52.037 -0.204 0.000 0.763 380 A CB 0.338 19.309 19.000 -0.048 0.000 1.270 380 A HN 0.578 nan 8.150 nan 0.000 0.417 381 Y N 1.602 122.035 120.300 0.223 0.000 2.327 381 Y HA 0.473 5.023 4.550 -0.000 0.000 0.336 381 Y C 0.356 176.391 175.900 0.225 0.000 1.035 381 Y CA -0.917 57.327 58.100 0.241 0.000 1.165 381 Y CB 1.084 39.680 38.460 0.228 0.000 1.181 381 Y HN 0.505 nan 8.280 nan 0.000 0.494 382 L N 4.569 126.039 121.223 0.412 0.000 2.494 382 L HA 0.238 4.578 4.340 -0.000 0.000 0.251 382 L C 0.687 177.769 176.870 0.353 0.000 1.119 382 L CA -0.219 54.795 54.840 0.290 0.000 1.026 382 L CB 0.293 42.465 42.059 0.189 0.000 1.370 382 L HN 0.720 nan 8.230 nan 0.000 0.426 383 D N 0.463 121.078 120.400 0.359 0.000 2.133 383 D HA -0.221 4.419 4.640 -0.000 0.000 0.192 383 D C 2.018 178.520 176.300 0.337 0.000 1.001 383 D CA 2.142 56.367 54.000 0.374 0.000 0.844 383 D CB 0.210 41.203 40.800 0.321 0.000 0.944 383 D HN 0.595 nan 8.370 nan 0.000 0.447 384 S N 0.310 116.151 115.700 0.234 0.000 2.345 384 S HA -0.029 4.441 4.470 -0.000 0.000 0.219 384 S C 2.325 176.972 174.600 0.078 0.000 1.031 384 S CA 1.243 59.547 58.200 0.173 0.000 0.984 384 S CB -0.953 62.325 63.200 0.129 0.000 0.874 384 S HN 0.262 nan 8.310 nan 0.000 0.451 385 G N 1.785 110.595 108.800 0.017 0.000 2.446 385 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 385 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 385 G C 1.126 175.988 174.900 -0.063 0.000 1.168 385 G CA 1.176 46.218 45.100 -0.098 0.000 0.771 385 G HN 0.534 nan 8.290 nan 0.000 0.551 386 D N -1.352 119.054 120.400 0.010 0.000 2.346 386 D HA 0.104 4.744 4.640 -0.000 0.000 0.206 386 D C 1.211 177.293 176.300 -0.364 0.000 1.001 386 D CA 0.469 54.375 54.000 -0.157 0.000 0.871 386 D CB 0.275 40.966 40.800 -0.183 0.000 0.943 386 D HN 0.486 nan 8.370 nan 0.000 0.518 387 Y N -0.327 120.042 120.300 0.116 0.000 2.452 387 Y HA 0.321 4.871 4.550 -0.000 0.000 0.262 387 Y C 1.072 177.051 175.900 0.131 0.000 1.089 387 Y CA 0.045 58.237 58.100 0.154 0.000 1.262 387 Y CB 1.054 39.633 38.460 0.199 0.000 1.236 387 Y HN -0.114 nan 8.280 nan 0.000 0.512 388 G N 1.522 110.463 108.800 0.235 0.000 2.846 388 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 388 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 388 G C 0.373 175.421 174.900 0.248 0.000 1.017 388 G CA 0.154 45.367 45.100 0.187 0.000 1.188 388 G HN 0.254 nan 8.290 nan 0.000 0.518 389 M N 1.109 120.889 119.600 0.300 0.000 2.296 389 M HA 0.019 4.499 4.480 -0.000 0.000 0.265 389 M C 2.693 179.332 176.300 0.565 0.000 1.064 389 M CA 2.081 57.634 55.300 0.422 0.000 1.109 389 M CB -0.078 32.848 32.600 0.542 0.000 1.396 389 M HN 0.641 nan 8.290 nan 0.000 0.430 390 G N -0.182 108.861 108.800 0.406 0.000 2.402 390 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 390 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 390 G C 1.478 176.535 174.900 0.261 0.000 1.162 390 G CA 1.296 46.580 45.100 0.305 0.000 0.777 390 G HN 0.346 nan 8.290 nan 0.000 0.539 391 T N 1.166 115.839 114.554 0.199 0.000 2.788 391 T HA 0.018 4.368 4.350 -0.000 0.000 0.268 391 T C 1.850 176.642 174.700 0.153 0.000 1.044 391 T CA 0.541 62.734 62.100 0.155 0.000 1.139 391 T CB -0.122 68.828 68.868 0.136 0.000 0.867 391 T HN 0.107 nan 8.240 nan 0.000 0.454 392 L N 1.837 123.167 121.223 0.179 0.000 2.737 392 L HA 0.174 4.514 4.340 -0.000 0.000 0.236 392 L C 0.395 177.349 176.870 0.139 0.000 1.219 392 L CA -0.308 54.609 54.840 0.129 0.000 1.021 392 L CB -0.545 41.581 42.059 0.112 0.000 1.291 392 L HN 0.080 nan 8.230 nan 0.000 0.470 393 T N 0.025 114.715 114.554 0.227 0.000 2.928 393 T HA 0.031 4.380 4.350 -0.000 0.000 0.305 393 T C 0.624 175.387 174.700 0.106 0.000 1.035 393 T CA 0.289 62.542 62.100 0.256 0.000 1.145 393 T CB 0.681 69.826 68.868 0.461 0.000 0.963 393 T HN 0.146 nan 8.240 nan 0.000 0.545 394 S N 5.307 121.014 115.700 0.012 0.000 2.422 394 S HA 0.345 4.815 4.470 -0.000 0.000 0.308 394 S C -2.270 172.343 174.600 0.022 0.000 1.097 394 S CA -1.209 56.987 58.200 -0.007 0.000 1.099 394 S CB 0.959 64.118 63.200 -0.069 0.000 0.976 394 S HN 0.453 nan 8.310 nan 0.000 0.471 395 P HA 0.085 nan 4.420 nan 0.000 0.263 395 P C -0.294 177.024 177.300 0.030 0.000 1.195 395 P CA 0.035 63.163 63.100 0.047 0.000 0.762 395 P CB 0.194 31.914 31.700 0.034 0.000 0.799 396 I N 2.333 122.932 120.570 0.048 0.000 2.683 396 I HA -0.001 4.169 4.170 -0.000 0.000 0.286 396 I C 0.910 177.036 176.117 0.015 0.000 1.175 396 I CA 0.088 61.409 61.300 0.036 0.000 1.429 396 I CB 0.452 38.493 38.000 0.069 0.000 1.371 396 I HN 0.356 nan 8.210 nan 0.000 0.569 397 A N 7.978 130.798 122.820 -0.001 0.000 2.437 397 A HA 0.211 4.531 4.320 -0.000 0.000 0.303 397 A C 0.570 178.146 177.584 -0.013 0.000 1.324 397 A CA -0.424 51.608 52.037 -0.009 0.000 0.983 397 A CB -0.061 18.930 19.000 -0.016 0.000 1.142 397 A HN 0.819 nan 8.150 nan 0.000 0.541 398 R N 2.075 122.568 120.500 -0.011 0.000 2.523 398 R HA 0.161 4.501 4.340 -0.000 0.000 0.281 398 R C 1.428 177.713 176.300 -0.025 0.000 0.969 398 R CA 1.709 57.800 56.100 -0.016 0.000 1.093 398 R CB -0.018 30.273 30.300 -0.015 0.000 0.917 398 R HN 1.603 nan 8.270 nan 0.000 0.408 399 G N 3.122 111.897 108.800 -0.042 0.000 2.245 399 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.264 399 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.264 399 G C 0.669 175.538 174.900 -0.052 0.000 0.985 399 G CA 0.853 45.925 45.100 -0.047 0.000 0.625 399 G HN 0.667 nan 8.290 nan 0.000 0.536 400 K N -0.966 119.406 120.400 -0.047 0.000 2.354 400 K HA 0.146 4.466 4.320 -0.000 0.000 0.210 400 K C 1.368 177.943 176.600 -0.042 0.000 1.184 400 K CA 0.338 56.601 56.287 -0.039 0.000 0.880 400 K CB 0.105 32.589 32.500 -0.026 0.000 1.328 400 K HN 0.084 nan 8.250 nan 0.000 0.466 401 D N 0.940 121.319 120.400 -0.035 0.000 2.269 401 D HA 0.028 4.668 4.640 -0.000 0.000 0.208 401 D C 0.147 176.428 176.300 -0.031 0.000 0.963 401 D CA 0.597 54.586 54.000 -0.018 0.000 0.864 401 D CB 0.464 41.260 40.800 -0.007 0.000 0.936 401 D HN 0.177 nan 8.370 nan 0.000 0.505 402 A N 0.586 123.341 122.820 -0.109 0.000 2.572 402 A HA 0.546 4.866 4.320 -0.000 0.000 0.295 402 A C -2.639 174.728 177.584 -0.362 0.000 1.072 402 A CA -1.326 50.527 52.037 -0.307 0.000 0.691 402 A CB 1.728 20.602 19.000 -0.211 0.000 1.291 402 A HN -0.228 nan 8.150 nan 0.000 0.404 403 P HA 0.019 nan 4.420 nan 0.000 0.270 403 P C 0.880 178.063 177.300 -0.195 0.000 1.227 403 P CA 0.535 63.422 63.100 -0.355 0.000 0.788 403 P CB 0.599 32.049 31.700 -0.417 0.000 0.926 404 S N -0.284 115.364 115.700 -0.086 0.000 2.507 404 S HA -0.117 4.353 4.470 -0.000 0.000 0.235 404 S C 1.157 175.778 174.600 0.034 0.000 0.988 404 S CA 0.552 58.742 58.200 -0.016 0.000 0.944 404 S CB -1.038 62.169 63.200 0.011 0.000 0.762 404 S HN 0.631 nan 8.310 nan 0.000 0.526 405 N N 1.719 120.442 118.700 0.040 0.000 2.276 405 N HA 0.302 5.042 4.740 -0.000 0.000 0.212 405 N C 0.133 175.741 175.510 0.163 0.000 1.127 405 N CA 0.117 53.234 53.050 0.112 0.000 0.834 405 N CB 0.043 38.605 38.487 0.126 0.000 1.014 405 N HN 0.445 nan 8.380 nan 0.000 0.491 406 A N 0.318 123.208 122.820 0.117 0.000 2.304 406 A HA 0.561 4.881 4.320 -0.000 0.000 0.271 406 A C -0.222 177.487 177.584 0.207 0.000 1.091 406 A CA -0.483 51.675 52.037 0.201 0.000 0.812 406 A CB 1.013 20.074 19.000 0.101 0.000 1.056 406 A HN 0.069 nan 8.150 nan 0.000 0.489 407 V N 2.234 122.301 119.914 0.255 0.000 2.417 407 V HA 0.327 4.447 4.120 -0.000 0.000 0.291 407 V C -0.351 175.867 176.094 0.207 0.000 1.024 407 V CA -0.230 62.215 62.300 0.243 0.000 0.861 407 V CB 1.148 33.152 31.823 0.302 0.000 0.985 407 V HN 0.678 nan 8.190 nan 0.000 0.436 408 L N 6.344 127.672 121.223 0.174 0.000 2.272 408 L HA 0.576 4.916 4.340 -0.000 0.000 0.289 408 L C -0.510 176.444 176.870 0.140 0.000 1.032 408 L CA -0.383 54.540 54.840 0.139 0.000 0.810 408 L CB 1.268 43.378 42.059 0.084 0.000 1.205 408 L HN 0.398 nan 8.230 nan 0.000 0.422 409 L N 3.367 124.670 121.223 0.134 0.000 2.334 409 L HA 0.474 4.814 4.340 -0.000 0.000 0.275 409 L C -0.162 176.744 176.870 0.060 0.000 1.036 409 L CA -0.750 54.155 54.840 0.109 0.000 0.807 409 L CB 1.283 43.409 42.059 0.111 0.000 1.231 409 L HN 0.577 nan 8.230 nan 0.000 0.438 410 N N 1.824 120.536 118.700 0.019 0.000 2.487 410 N HA 0.416 5.156 4.740 -0.000 0.000 0.292 410 N C -0.745 174.765 175.510 0.001 0.000 1.108 410 N CA -0.561 52.494 53.050 0.008 0.000 0.956 410 N CB 1.986 40.461 38.487 -0.020 0.000 1.176 410 N HN 0.485 nan 8.380 nan 0.000 0.484 411 E N 0.409 120.615 120.200 0.009 0.000 2.343 411 E HA 0.462 4.812 4.350 -0.000 0.000 0.270 411 E C -0.750 175.847 176.600 -0.004 0.000 0.895 411 E CA -0.568 55.828 56.400 -0.008 0.000 0.767 411 E CB 2.165 31.858 29.700 -0.012 0.000 1.248 411 E HN 0.340 nan 8.360 nan 0.000 0.440 412 T N 2.404 116.948 114.554 -0.018 0.000 2.824 412 T HA 0.707 5.057 4.350 -0.000 0.000 0.282 412 T C 0.273 174.964 174.700 -0.016 0.000 0.993 412 T CA -0.569 61.523 62.100 -0.014 0.000 0.967 412 T CB 0.568 69.423 68.868 -0.021 0.000 0.960 412 T HN 0.449 nan 8.240 nan 0.000 0.441 413 I N -0.644 119.923 120.570 -0.005 0.000 3.343 413 I HA 0.988 5.158 4.170 -0.000 0.000 0.315 413 I C -0.958 175.156 176.117 -0.006 0.000 1.153 413 I CA -1.870 59.428 61.300 -0.003 0.000 0.952 413 I CB 1.809 39.819 38.000 0.017 0.000 1.287 413 I HN 0.622 nan 8.210 nan 0.000 0.472 414 A N 1.667 124.484 122.820 -0.006 0.000 2.305 414 A HA 0.624 4.944 4.320 -0.000 0.000 0.322 414 A C -0.780 176.816 177.584 0.020 0.000 1.187 414 A CA -0.444 51.577 52.037 -0.027 0.000 0.825 414 A CB 0.547 19.503 19.000 -0.072 0.000 1.164 414 A HN 0.855 nan 8.150 nan 0.000 0.498 415 D N 0.212 120.619 120.400 0.012 0.000 2.447 415 D HA 0.132 4.772 4.640 -0.000 0.000 0.265 415 D C 0.773 177.147 176.300 0.124 0.000 1.250 415 D CA 0.088 54.139 54.000 0.086 0.000 1.046 415 D CB -0.072 40.762 40.800 0.058 0.000 1.095 415 D HN 0.629 nan 8.370 nan 0.000 0.555 416 Y N -2.425 117.939 120.300 0.107 0.000 2.497 416 Y HA -0.003 4.547 4.550 -0.000 0.000 0.292 416 Y C 1.753 177.825 175.900 0.286 0.000 1.137 416 Y CA 1.133 59.340 58.100 0.178 0.000 1.285 416 Y CB -1.341 37.200 38.460 0.134 0.000 0.991 416 Y HN 0.372 nan 8.280 nan 0.000 0.556 417 T N -3.712 110.630 114.554 -0.353 0.000 3.086 417 T HA 0.444 4.794 4.350 -0.000 0.000 0.250 417 T C 1.560 176.232 174.700 -0.046 0.000 1.074 417 T CA 0.236 62.244 62.100 -0.152 0.000 0.988 417 T CB -0.383 68.273 68.868 -0.353 0.000 0.988 417 T HN 0.888 nan 8.240 nan 0.000 0.530 418 G N 0.672 109.347 108.800 -0.208 0.000 2.132 418 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.234 418 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.234 418 G C -0.084 174.632 174.900 -0.307 0.000 0.989 418 G CA -0.102 44.673 45.100 -0.541 0.000 0.676 418 G HN 0.700 nan 8.290 nan 0.000 0.522 419 V N 1.122 120.924 119.914 -0.186 0.000 2.439 419 V HA 0.468 4.588 4.120 -0.000 0.000 0.282 419 V C -1.533 174.506 176.094 -0.093 0.000 1.039 419 V CA -1.792 60.431 62.300 -0.128 0.000 0.913 419 V CB 1.721 33.484 31.823 -0.100 0.000 0.983 419 V HN 0.087 nan 8.190 nan 0.000 0.460 420 P HA 0.124 nan 4.420 nan 0.000 0.266 420 P C -0.581 176.700 177.300 -0.032 0.000 1.195 420 P CA 0.178 63.246 63.100 -0.053 0.000 0.768 420 P CB 0.338 32.008 31.700 -0.050 0.000 0.838 421 M N 2.351 121.941 119.600 -0.017 0.000 2.151 421 M HA 0.276 4.756 4.480 -0.000 0.000 0.290 421 M C -0.853 175.450 176.300 0.005 0.000 0.965 421 M CA -0.516 54.784 55.300 0.001 0.000 0.930 421 M CB 1.470 34.081 32.600 0.019 0.000 1.560 421 M HN 0.207 nan 8.290 nan 0.000 0.438 422 E N 5.753 125.955 120.200 0.004 0.000 2.115 422 E HA 0.370 4.720 4.350 -0.000 0.000 0.282 422 E C -1.265 175.346 176.600 0.017 0.000 0.987 422 E CA -0.474 55.929 56.400 0.004 0.000 0.797 422 E CB 0.940 30.636 29.700 -0.006 0.000 1.086 422 E HN 0.756 nan 8.360 nan 0.000 0.397 423 I N 8.163 128.751 120.570 0.029 0.000 2.301 423 I HA 0.214 4.384 4.170 -0.000 0.000 0.292 423 I C -1.898 174.244 176.117 0.042 0.000 1.046 423 I CA -2.069 59.261 61.300 0.049 0.000 1.282 423 I CB 0.786 38.836 38.000 0.082 0.000 1.409 423 I HN 0.356 nan 8.210 nan 0.000 0.484 424 P HA 0.100 nan 4.420 nan 0.000 0.276 424 P C -0.463 176.860 177.300 0.039 0.000 1.230 424 P CA -0.233 62.879 63.100 0.020 0.000 0.776 424 P CB 0.649 32.352 31.700 0.006 0.000 0.888 425 R N 1.231 121.754 120.500 0.038 0.000 3.416 425 R HA -0.227 4.113 4.340 -0.000 0.000 0.263 425 R C 1.159 177.522 176.300 0.104 0.000 1.053 425 R CA 0.468 56.605 56.100 0.062 0.000 0.705 425 R CB -2.507 27.819 30.300 0.043 0.000 1.124 425 R HN 0.615 nan 8.270 nan 0.000 0.444 426 A N 0.273 123.166 122.820 0.121 0.000 1.969 426 A HA 0.071 4.391 4.320 -0.000 0.000 0.218 426 A C 1.067 178.819 177.584 0.280 0.000 1.169 426 A CA 0.971 53.126 52.037 0.196 0.000 0.635 426 A CB 0.255 19.352 19.000 0.161 0.000 0.810 426 A HN 0.381 nan 8.150 nan 0.000 0.445 427 I N -1.633 119.060 120.570 0.205 0.000 2.769 427 I HA 0.558 4.728 4.170 -0.000 0.000 0.298 427 I C -0.354 175.878 176.117 0.193 0.000 1.128 427 I CA -0.789 60.649 61.300 0.229 0.000 1.031 427 I CB 2.295 40.385 38.000 0.151 0.000 1.235 427 I HN 0.099 nan 8.210 nan 0.000 0.423 428 A N 5.256 128.215 122.820 0.232 0.000 2.318 428 A HA 0.828 5.148 4.320 -0.000 0.000 0.324 428 A C -0.987 176.734 177.584 0.228 0.000 1.170 428 A CA -0.515 51.674 52.037 0.252 0.000 0.810 428 A CB 1.363 20.555 19.000 0.320 0.000 1.198 428 A HN 0.408 nan 8.150 nan 0.000 0.484 429 V N 3.218 123.226 119.914 0.158 0.000 2.444 429 V HA 0.732 4.852 4.120 -0.000 0.000 0.294 429 V C -0.914 175.195 176.094 0.024 0.000 1.022 429 V CA -0.295 61.952 62.300 -0.089 0.000 0.850 429 V CB 0.522 32.164 31.823 -0.301 0.000 0.992 429 V HN 0.892 nan 8.190 nan 0.000 0.426 430 F N 1.180 121.011 119.950 -0.198 0.000 2.641 430 F HA 0.727 5.254 4.527 -0.000 0.000 0.308 430 F C -0.774 174.945 175.800 -0.134 0.000 1.105 430 F CA -1.041 56.910 58.000 -0.083 0.000 0.964 430 F CB 1.556 40.559 39.000 0.004 0.000 1.294 430 F HN 0.451 nan 8.300 nan 0.000 0.442 431 E N 2.436 122.730 120.200 0.156 0.000 2.242 431 E HA 0.657 5.007 4.350 -0.000 0.000 0.275 431 E C -1.040 175.680 176.600 0.200 0.000 1.002 431 E CA -0.973 55.456 56.400 0.049 0.000 0.841 431 E CB 1.480 31.301 29.700 0.201 0.000 1.109 431 E HN 0.860 nan 8.360 nan 0.000 0.394 432 R N 2.616 123.193 120.500 0.128 0.000 2.668 432 R HA 0.224 4.564 4.340 -0.000 0.000 0.272 432 R C -1.469 174.913 176.300 0.136 0.000 1.019 432 R CA -0.939 55.266 56.100 0.176 0.000 0.894 432 R CB 0.539 30.961 30.300 0.202 0.000 1.228 432 R HN 0.518 nan 8.270 nan 0.000 0.460 433 Y N 1.705 122.038 120.300 0.055 0.000 2.425 433 Y HA 0.396 4.946 4.550 -0.000 0.000 0.331 433 Y C -0.395 175.504 175.900 -0.000 0.000 1.157 433 Y CA 0.467 58.584 58.100 0.029 0.000 1.372 433 Y CB 1.197 39.669 38.460 0.020 0.000 1.253 433 Y HN 0.829 nan 8.280 nan 0.000 0.536 434 A N 5.325 127.703 122.820 -0.737 0.000 3.176 434 A HA 0.600 4.920 4.320 -0.000 0.000 0.265 434 A C 0.524 177.722 177.584 -0.643 0.000 0.936 434 A CA 0.071 51.790 52.037 -0.530 0.000 1.033 434 A CB -0.756 18.056 19.000 -0.313 0.000 1.158 434 A HN 1.799 nan 8.150 nan 0.000 0.485 435 G N 0.930 109.051 108.800 -1.131 0.000 2.782 435 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.228 435 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.228 435 G C -2.878 171.770 174.900 -0.419 0.000 1.372 435 G CA -0.348 44.436 45.100 -0.526 0.000 0.862 435 G HN 0.593 nan 8.290 nan 0.000 0.547 436 P HA 0.281 nan 4.420 nan 0.000 0.281 436 P C 0.483 177.716 177.300 -0.112 0.000 1.252 436 P CA -0.003 63.048 63.100 -0.081 0.000 0.778 436 P CB 1.805 33.502 31.700 -0.004 0.000 0.895 437 E N 4.276 124.372 120.200 -0.174 0.000 2.058 437 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 437 E C 0.050 176.629 176.600 -0.034 0.000 0.997 437 E CA 1.906 58.212 56.400 -0.156 0.000 0.801 437 E CB -0.436 29.090 29.700 -0.291 0.000 0.746 437 E HN 0.599 nan 8.360 nan 0.000 0.450 438 Y N -3.076 117.228 120.300 0.007 0.000 2.656 438 Y HA 0.664 5.214 4.550 -0.000 0.000 0.334 438 Y C -1.074 174.843 175.900 0.028 0.000 1.179 438 Y CA -1.711 56.395 58.100 0.011 0.000 1.050 438 Y CB 0.747 39.208 38.460 0.002 0.000 1.308 438 Y HN -0.128 nan 8.280 nan 0.000 0.456 439 K N 1.159 121.760 120.400 0.335 0.000 2.572 439 K HA 0.488 4.808 4.320 -0.000 0.000 0.263 439 K C -2.675 174.074 176.600 0.247 0.000 0.932 439 K CA -0.742 55.693 56.287 0.247 0.000 0.838 439 K CB 2.043 34.620 32.500 0.130 0.000 1.366 439 K HN 1.058 nan 8.250 nan 0.000 0.425 440 H N 2.132 121.257 119.070 0.093 0.000 3.149 440 H HA 0.237 4.793 4.556 -0.000 0.000 0.334 440 H C -1.782 173.568 175.328 0.037 0.000 1.000 440 H CA -0.303 55.773 56.048 0.046 0.000 1.415 440 H CB 1.723 31.497 29.762 0.019 0.000 1.819 440 H HN 0.534 nan 8.280 nan 0.000 0.486 441 Q N 3.730 123.279 119.800 -0.419 0.000 2.563 441 Q HA 0.233 4.573 4.340 -0.000 0.000 0.232 441 Q C -0.750 174.922 176.000 -0.546 0.000 1.106 441 Q CA -0.710 54.880 55.803 -0.355 0.000 0.913 441 Q CB 0.449 29.098 28.738 -0.148 0.000 1.175 441 Q HN 0.602 nan 8.270 nan 0.000 0.540 442 E N 2.996 122.788 120.200 -0.680 0.000 2.376 442 E HA 0.013 4.363 4.350 -0.000 0.000 0.266 442 E C -0.467 176.042 176.600 -0.152 0.000 1.009 442 E CA -0.019 56.162 56.400 -0.365 0.000 0.902 442 E CB 0.442 30.080 29.700 -0.103 0.000 0.972 442 E HN 0.767 nan 8.360 nan 0.000 0.439 443 M N 4.729 124.282 119.600 -0.078 0.000 2.290 443 M HA 0.053 4.533 4.480 -0.000 0.000 0.356 443 M C 0.868 177.149 176.300 -0.031 0.000 1.448 443 M CA 1.727 57.001 55.300 -0.044 0.000 0.993 443 M CB -0.280 32.311 32.600 -0.017 0.000 1.934 443 M HN 0.814 nan 8.290 nan 0.000 0.461 444 G N 3.001 111.782 108.800 -0.031 0.000 2.168 444 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.257 444 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.257 444 G C -0.302 174.585 174.900 -0.021 0.000 0.997 444 G CA 0.223 45.310 45.100 -0.021 0.000 0.708 444 G HN 0.691 nan 8.290 nan 0.000 0.520 445 Q N -0.855 118.925 119.800 -0.033 0.000 2.458 445 Q HA 0.527 4.867 4.340 -0.000 0.000 0.282 445 Q C -2.667 173.315 176.000 -0.030 0.000 1.106 445 Q CA -1.964 53.824 55.803 -0.026 0.000 0.814 445 Q CB 1.278 30.002 28.738 -0.023 0.000 1.425 445 Q HN 0.130 nan 8.270 nan 0.000 0.437 446 P HA 0.011 nan 4.420 nan 0.000 0.267 446 P C -0.036 177.253 177.300 -0.018 0.000 1.205 446 P CA -0.077 63.015 63.100 -0.013 0.000 0.765 446 P CB 0.469 32.168 31.700 -0.002 0.000 0.828 447 N N 2.331 121.018 118.700 -0.020 0.000 2.381 447 N HA 0.044 4.784 4.740 -0.000 0.000 0.241 447 N C -1.151 174.368 175.510 0.015 0.000 1.279 447 N CA 0.277 53.314 53.050 -0.021 0.000 0.896 447 N CB 0.481 38.959 38.487 -0.016 0.000 1.118 447 N HN 0.029 nan 8.380 nan 0.000 0.438 448 V N 1.635 121.573 119.914 0.041 0.000 2.482 448 V HA 0.366 4.486 4.120 -0.000 0.000 0.295 448 V C -0.737 175.436 176.094 0.131 0.000 1.026 448 V CA -0.586 61.774 62.300 0.100 0.000 0.856 448 V CB 1.334 33.242 31.823 0.143 0.000 1.001 448 V HN 0.696 nan 8.190 nan 0.000 0.424 449 S N 2.506 118.259 115.700 0.089 0.000 2.541 449 S HA 0.857 5.327 4.470 -0.000 0.000 0.271 449 S C -0.409 174.157 174.600 -0.057 0.000 1.133 449 S CA -0.747 57.475 58.200 0.037 0.000 0.876 449 S CB 2.456 65.672 63.200 0.027 0.000 1.105 449 S HN 0.941 nan 8.310 nan 0.000 0.470 450 T N -0.889 113.534 114.554 -0.219 0.000 2.912 450 T HA 0.634 4.984 4.350 -0.000 0.000 0.299 450 T C -0.927 173.648 174.700 -0.208 0.000 1.052 450 T CA -1.026 60.914 62.100 -0.266 0.000 0.996 450 T CB 1.466 70.024 68.868 -0.516 0.000 1.070 450 T HN 0.683 nan 8.240 nan 0.000 0.465 451 E N 2.301 122.454 120.200 -0.079 0.000 2.313 451 E HA 0.394 4.744 4.350 -0.000 0.000 0.272 451 E C -0.222 176.333 176.600 -0.075 0.000 1.038 451 E CA -1.093 55.309 56.400 0.003 0.000 0.863 451 E CB 1.431 31.255 29.700 0.207 0.000 1.060 451 E HN 0.710 nan 8.360 nan 0.000 0.402 452 R N 1.795 122.203 120.500 -0.154 0.000 2.404 452 R HA 0.281 4.621 4.340 -0.000 0.000 0.291 452 R C -0.721 175.529 176.300 -0.084 0.000 1.025 452 R CA -0.661 55.363 56.100 -0.128 0.000 0.991 452 R CB 0.828 31.025 30.300 -0.170 0.000 1.053 452 R HN 0.499 nan 8.270 nan 0.000 0.479 453 R N 2.803 123.338 120.500 0.059 0.000 2.621 453 R HA 0.343 4.683 4.340 -0.000 0.000 0.292 453 R C -1.031 175.420 176.300 0.252 0.000 0.969 453 R CA -0.721 55.489 56.100 0.184 0.000 0.887 453 R CB 2.079 32.588 30.300 0.348 0.000 1.180 453 R HN 0.759 nan 8.270 nan 0.000 0.450 454 E N 1.808 122.054 120.200 0.076 0.000 2.266 454 E HA 0.352 4.702 4.350 -0.000 0.000 0.268 454 E C -0.915 175.450 176.600 -0.391 0.000 0.879 454 E CA -1.141 55.189 56.400 -0.116 0.000 0.762 454 E CB 2.731 32.243 29.700 -0.314 0.000 1.199 454 E HN 0.087 nan 8.360 nan 0.000 0.422 455 L N 3.055 123.819 121.223 -0.766 0.000 2.272 455 L HA 0.352 4.692 4.340 -0.000 0.000 0.289 455 L C -1.298 175.210 176.870 -0.602 0.000 1.032 455 L CA -0.562 53.663 54.840 -1.025 0.000 0.810 455 L CB 1.310 42.373 42.059 -1.659 0.000 1.205 455 L HN 0.320 nan 8.230 nan 0.000 0.422 456 V N 5.666 125.130 119.914 -0.750 0.000 2.513 456 V HA 0.530 4.650 4.120 -0.000 0.000 0.299 456 V C -0.421 175.334 176.094 -0.565 0.000 1.035 456 V CA -0.742 61.132 62.300 -0.710 0.000 0.889 456 V CB 1.917 33.021 31.823 -1.198 0.000 0.988 456 V HN 0.467 nan 8.190 nan 0.000 0.440 457 V N 5.357 125.171 119.914 -0.167 0.000 2.350 457 V HA 0.520 4.640 4.120 -0.000 0.000 0.285 457 V C 0.018 176.234 176.094 0.203 0.000 1.014 457 V CA -0.584 61.733 62.300 0.028 0.000 0.831 457 V CB 1.434 33.347 31.823 0.150 0.000 1.000 457 V HN 0.878 nan 8.190 nan 0.000 0.433 458 R N 3.847 124.500 120.500 0.255 0.000 2.562 458 R HA 0.557 4.897 4.340 -0.000 0.000 0.298 458 R C -1.876 174.700 176.300 0.461 0.000 0.961 458 R CA -0.593 55.740 56.100 0.389 0.000 0.881 458 R CB 1.715 32.280 30.300 0.441 0.000 1.159 458 R HN 0.665 nan 8.270 nan 0.000 0.450 459 W N 6.729 128.208 121.300 0.299 0.000 2.839 459 W HA 0.532 5.192 4.660 -0.000 0.000 0.334 459 W C -1.887 174.808 176.519 0.293 0.000 1.064 459 W CA -0.823 56.683 57.345 0.269 0.000 1.236 459 W CB 1.120 30.746 29.460 0.278 0.000 1.405 459 W HN 0.418 nan 8.180 nan 0.000 0.478 460 I N 5.744 126.085 120.570 -0.381 0.000 2.418 460 I HA 0.309 4.479 4.170 -0.000 0.000 0.287 460 I C -0.190 175.510 176.117 -0.696 0.000 1.008 460 I CA -0.826 60.187 61.300 -0.479 0.000 1.104 460 I CB 1.835 39.711 38.000 -0.206 0.000 1.264 460 I HN 0.360 nan 8.210 nan 0.000 0.438 461 S N 3.884 119.159 115.700 -0.707 0.000 2.482 461 S HA 0.642 5.112 4.470 -0.000 0.000 0.303 461 S C -0.604 173.889 174.600 -0.179 0.000 1.091 461 S CA -0.271 57.682 58.200 -0.412 0.000 1.057 461 S CB 1.555 64.497 63.200 -0.430 0.000 1.031 461 S HN 0.566 nan 8.310 nan 0.000 0.485 462 T N 3.774 118.264 114.554 -0.106 0.000 2.815 462 T HA 0.465 4.815 4.350 -0.000 0.000 0.289 462 T C -1.061 173.606 174.700 -0.055 0.000 1.000 462 T CA -0.430 61.595 62.100 -0.125 0.000 0.958 462 T CB 1.144 69.924 68.868 -0.146 0.000 0.944 462 T HN 0.440 nan 8.240 nan 0.000 0.442 463 V N 3.896 123.773 119.914 -0.062 0.000 2.304 463 V HA 0.671 4.791 4.120 -0.000 0.000 0.278 463 V C 1.114 177.120 176.094 -0.147 0.000 1.018 463 V CA 0.280 62.546 62.300 -0.057 0.000 0.814 463 V CB 0.179 31.989 31.823 -0.022 0.000 1.021 463 V HN 1.227 nan 8.190 nan 0.000 0.440 464 G N 5.626 114.396 108.800 -0.050 0.000 2.595 464 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.297 464 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.297 464 G C 0.238 175.007 174.900 -0.219 0.000 1.181 464 G CA 0.433 45.541 45.100 0.015 0.000 0.963 464 G HN 0.889 nan 8.290 nan 0.000 0.541 468 Y N 1.093 121.226 120.300 -0.278 0.000 2.352 468 Y HA 0.634 5.184 4.550 -0.000 0.000 0.339 468 Y C 0.091 175.673 175.900 -0.529 0.000 0.992 468 Y CA -0.817 57.049 58.100 -0.390 0.000 1.100 468 Y CB 1.349 39.709 38.460 -0.167 0.000 1.192 468 Y HN 0.266 nan 8.280 nan 0.000 0.458 469 I N 4.446 124.667 120.570 -0.581 0.000 2.378 469 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 469 I C -1.248 174.505 176.117 -0.608 0.000 0.992 469 I CA -0.592 60.415 61.300 -0.488 0.000 1.154 469 I CB 1.007 38.712 38.000 -0.492 0.000 1.315 469 I HN 0.363 nan 8.210 nan 0.000 0.448 470 F N 3.596 123.609 119.950 0.105 0.000 2.493 470 F HA 0.421 4.947 4.527 -0.000 0.000 0.329 470 F C -0.275 175.674 175.800 0.247 0.000 1.126 470 F CA -0.759 57.365 58.000 0.207 0.000 0.937 470 F CB 1.470 40.740 39.000 0.450 0.000 1.146 470 F HN 0.330 nan 8.300 nan 0.000 0.442 471 D N 2.446 122.973 120.400 0.212 0.000 2.391 471 D HA 0.249 4.889 4.640 -0.000 0.000 0.245 471 D C -1.348 174.824 176.300 -0.214 0.000 1.069 471 D CA -0.263 53.800 54.000 0.105 0.000 0.831 471 D CB 1.306 42.145 40.800 0.065 0.000 1.204 471 D HN 0.346 nan 8.370 nan 0.000 0.503 472 W N 2.845 124.085 121.300 -0.100 0.000 2.278 472 W HA 0.467 5.127 4.660 -0.000 0.000 0.317 472 W C -0.067 176.207 176.519 -0.408 0.000 1.030 472 W CA -0.610 56.555 57.345 -0.301 0.000 1.334 472 W CB 0.513 29.811 29.460 -0.270 0.000 1.215 472 W HN 0.133 nan 8.180 nan 0.000 0.405 473 I N 4.431 124.780 120.570 -0.368 0.000 2.312 473 I HA 0.294 4.464 4.170 -0.000 0.000 0.290 473 I C -0.732 175.148 176.117 -0.395 0.000 1.008 473 I CA -0.832 60.278 61.300 -0.318 0.000 1.226 473 I CB 0.371 38.246 38.000 -0.209 0.000 1.371 473 I HN 0.085 nan 8.210 nan 0.000 0.468 474 F N 4.813 124.570 119.950 -0.322 0.000 2.385 474 F HA 0.383 4.910 4.527 -0.000 0.000 0.360 474 F C 0.819 176.722 175.800 0.172 0.000 1.122 474 F CA -0.408 57.388 58.000 -0.340 0.000 1.090 474 F CB 0.361 38.848 39.000 -0.855 0.000 1.150 474 F HN 0.403 nan 8.300 nan 0.000 0.472 475 H N 2.511 121.812 119.070 0.385 0.000 2.482 475 H HA 0.164 4.720 4.556 -0.000 0.000 0.344 475 H C 0.607 176.430 175.328 0.824 0.000 1.151 475 H CA -0.553 55.794 56.048 0.500 0.000 1.300 475 H CB 1.528 31.465 29.762 0.292 0.000 1.494 475 H HN 0.703 nan 8.280 nan 0.000 0.542 476 E N 1.079 121.684 120.200 0.674 0.000 2.153 476 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 476 E C 1.156 177.962 176.600 0.343 0.000 0.988 476 E CA 0.963 57.596 56.400 0.388 0.000 0.811 476 E CB -0.026 29.741 29.700 0.111 0.000 0.746 476 E HN 0.658 nan 8.360 nan 0.000 0.466 477 N N -0.655 118.239 118.700 0.322 0.000 2.434 477 N HA -0.013 4.727 4.740 -0.000 0.000 0.196 477 N C 1.144 176.722 175.510 0.115 0.000 1.183 477 N CA 0.505 53.637 53.050 0.137 0.000 0.849 477 N CB 0.726 39.267 38.487 0.090 0.000 0.992 477 N HN 0.154 nan 8.380 nan 0.000 0.460 478 G N -0.060 108.999 108.800 0.431 0.000 2.254 478 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.225 478 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.225 478 G C 0.246 175.536 174.900 0.651 0.000 1.003 478 G CA 0.209 45.588 45.100 0.465 0.000 0.622 478 G HN 0.414 nan 8.290 nan 0.000 0.507 479 T N 1.334 116.093 114.554 0.342 0.000 2.898 479 T HA 0.569 4.919 4.350 -0.000 0.000 0.301 479 T C 0.346 175.042 174.700 -0.007 0.000 1.049 479 T CA 0.551 62.673 62.100 0.036 0.000 1.095 479 T CB 1.251 69.871 68.868 -0.414 0.000 0.976 479 T HN 0.360 nan 8.240 nan 0.000 0.539 480 I N 1.500 121.994 120.570 -0.126 0.000 2.499 480 I HA 0.515 4.685 4.170 -0.000 0.000 0.288 480 I C 0.532 176.469 176.117 -0.299 0.000 1.048 480 I CA -0.790 60.336 61.300 -0.290 0.000 1.062 480 I CB 2.040 39.815 38.000 -0.375 0.000 1.238 480 I HN 0.701 nan 8.210 nan 0.000 0.426 481 G N 6.560 115.197 108.800 -0.273 0.000 2.432 481 G HA2 0.835 4.795 3.960 -0.000 0.000 0.331 481 G HA3 0.835 4.795 3.960 -0.000 0.000 0.331 481 G C -0.912 173.739 174.900 -0.414 0.000 1.170 481 G CA -0.476 44.481 45.100 -0.240 0.000 0.943 481 G HN 0.495 nan 8.290 nan 0.000 0.483 482 I N 1.833 122.113 120.570 -0.483 0.000 2.503 482 I HA 0.247 4.417 4.170 -0.000 0.000 0.282 482 I C -1.336 174.467 176.117 -0.523 0.000 1.059 482 I CA -0.780 60.040 61.300 -0.801 0.000 1.081 482 I CB 2.026 39.238 38.000 -1.314 0.000 1.210 482 I HN 0.250 nan 8.210 nan 0.000 0.450 483 D N 5.279 125.487 120.400 -0.320 0.000 2.252 483 D HA 0.722 5.362 4.640 -0.000 0.000 0.245 483 D C -0.479 175.793 176.300 -0.048 0.000 1.009 483 D CA -0.336 53.617 54.000 -0.077 0.000 0.870 483 D CB 2.647 43.520 40.800 0.121 0.000 1.251 483 D HN 0.538 nan 8.370 nan 0.000 0.460 484 A N 0.748 123.483 122.820 -0.143 0.000 2.335 484 A HA 0.715 5.034 4.320 -0.000 0.000 0.304 484 A C 0.020 177.213 177.584 -0.652 0.000 1.118 484 A CA -0.658 51.028 52.037 -0.586 0.000 0.757 484 A CB 1.481 19.896 19.000 -0.974 0.000 1.188 484 A HN 0.490 nan 8.150 nan 0.000 0.460 485 G N 0.424 108.606 108.800 -1.029 0.000 2.432 485 G HA2 0.761 4.721 3.960 -0.000 0.000 0.331 485 G HA3 0.761 4.721 3.960 -0.000 0.000 0.331 485 G C -0.493 173.896 174.900 -0.852 0.000 1.170 485 G CA -0.018 44.244 45.100 -1.398 0.000 0.943 485 G HN 1.603 nan 8.290 nan 0.000 0.483 486 A N 0.664 123.079 122.820 -0.674 0.000 2.374 486 A HA 0.895 5.215 4.320 -0.000 0.000 0.305 486 A C -0.179 177.118 177.584 -0.478 0.000 1.053 486 A CA -0.365 51.397 52.037 -0.458 0.000 0.726 486 A CB 2.133 20.934 19.000 -0.332 0.000 1.229 486 A HN 1.130 nan 8.150 nan 0.000 0.431 487 T N 0.317 114.590 114.554 -0.469 0.000 2.618 487 T HA 0.848 5.198 4.350 -0.000 0.000 0.293 487 T C 0.301 174.766 174.700 -0.391 0.000 1.093 487 T CA 0.988 62.864 62.100 -0.374 0.000 1.061 487 T CB 0.974 69.631 68.868 -0.350 0.000 1.498 487 T HN 2.747 nan 8.240 nan 0.000 0.494 488 G N 0.520 109.098 108.800 -0.370 0.000 2.416 488 G HA2 0.066 4.026 3.960 -0.000 0.000 0.203 488 G HA3 0.066 4.026 3.960 -0.000 0.000 0.203 488 G C -1.553 173.080 174.900 -0.445 0.000 1.227 488 G CA -0.257 44.570 45.100 -0.455 0.000 1.041 488 G HN 0.849 nan 8.290 nan 0.000 0.546 489 I N 1.546 121.785 120.570 -0.552 0.000 2.404 489 I HA 0.412 4.582 4.170 -0.000 0.000 0.293 489 I C 0.643 176.575 176.117 -0.308 0.000 0.992 489 I CA -0.739 60.261 61.300 -0.499 0.000 1.149 489 I CB 1.027 38.547 38.000 -0.799 0.000 1.315 489 I HN 0.640 nan 8.210 nan 0.000 0.446 490 E N 3.291 123.517 120.200 0.044 0.000 2.383 490 E HA 0.413 4.763 4.350 -0.000 0.000 0.264 490 E C -0.071 176.650 176.600 0.202 0.000 1.050 490 E CA -0.469 56.028 56.400 0.161 0.000 0.896 490 E CB 1.088 30.959 29.700 0.285 0.000 0.982 490 E HN 0.703 nan 8.360 nan 0.000 0.424 491 A N 2.653 125.588 122.820 0.193 0.000 2.350 491 A HA 0.330 4.650 4.320 -0.000 0.000 0.293 491 A C 0.060 177.925 177.584 0.467 0.000 1.231 491 A CA -0.593 51.638 52.037 0.324 0.000 0.883 491 A CB -0.278 18.866 19.000 0.240 0.000 1.133 491 A HN 0.384 nan 8.150 nan 0.000 0.533 492 V N 0.617 120.811 119.914 0.468 0.000 2.850 492 V HA 0.679 4.799 4.120 -0.000 0.000 0.315 492 V C -0.109 176.300 176.094 0.524 0.000 1.064 492 V CA -1.084 61.404 62.300 0.314 0.000 0.979 492 V CB 1.553 33.338 31.823 -0.063 0.000 1.039 492 V HN 0.818 nan 8.190 nan 0.000 0.452 493 K N 1.881 122.442 120.400 0.267 0.000 2.206 493 K HA 0.642 4.962 4.320 -0.000 0.000 0.264 493 K C 0.192 176.884 176.600 0.154 0.000 0.967 493 K CA -0.281 56.201 56.287 0.325 0.000 0.844 493 K CB 1.399 33.833 32.500 -0.110 0.000 1.099 493 K HN 1.185 nan 8.250 nan 0.000 0.441 494 G N 2.686 111.602 108.800 0.194 0.000 2.364 494 G HA2 0.412 4.372 3.960 -0.000 0.000 0.267 494 G HA3 0.412 4.372 3.960 -0.000 0.000 0.267 494 G C -0.469 174.479 174.900 0.079 0.000 1.233 494 G CA -0.400 44.773 45.100 0.123 0.000 0.885 494 G HN 0.474 nan 8.290 nan 0.000 0.490 495 V N 0.206 120.146 119.914 0.045 0.000 3.102 495 V HA 0.577 4.697 4.120 -0.000 0.000 0.312 495 V C 0.768 176.878 176.094 0.027 0.000 1.135 495 V CA -1.200 61.114 62.300 0.024 0.000 1.022 495 V CB 2.109 33.925 31.823 -0.011 0.000 1.056 495 V HN 0.658 nan 8.190 nan 0.000 0.436 496 K N 1.337 121.748 120.400 0.018 0.000 2.228 496 K HA 0.329 4.649 4.320 -0.000 0.000 0.202 496 K C 1.031 177.638 176.600 0.012 0.000 1.051 496 K CA 1.152 57.450 56.287 0.018 0.000 0.960 496 K CB -0.013 32.494 32.500 0.012 0.000 0.743 496 K HN 0.933 nan 8.250 nan 0.000 0.458 497 A N 1.806 124.629 122.820 0.004 0.000 2.440 497 A HA 0.052 4.372 4.320 -0.000 0.000 0.251 497 A C 0.550 178.145 177.584 0.019 0.000 1.089 497 A CA 0.046 52.084 52.037 0.001 0.000 0.779 497 A CB 0.415 19.405 19.000 -0.016 0.000 1.022 497 A HN 0.173 nan 8.150 nan 0.000 0.492 498 K N 0.239 120.649 120.400 0.016 0.000 2.287 498 K HA 0.093 4.413 4.320 -0.000 0.000 0.199 498 K C 0.697 177.366 176.600 0.115 0.000 1.061 498 K CA 1.317 57.625 56.287 0.035 0.000 0.976 498 K CB 0.288 32.715 32.500 -0.122 0.000 0.898 498 K HN 0.890 nan 8.250 nan 0.000 0.492 499 T N -2.783 111.799 114.554 0.046 0.000 2.864 499 T HA 0.279 4.629 4.350 -0.000 0.000 0.289 499 T C 0.655 175.319 174.700 -0.061 0.000 1.082 499 T CA -0.847 61.272 62.100 0.032 0.000 1.009 499 T CB 1.273 70.180 68.868 0.065 0.000 1.234 499 T HN -0.263 nan 8.240 nan 0.000 0.526 500 M N 0.774 120.261 119.600 -0.189 0.000 2.686 500 M HA 0.038 4.518 4.480 -0.000 0.000 0.246 500 M C 1.088 177.223 176.300 -0.275 0.000 1.096 500 M CA 0.863 56.016 55.300 -0.245 0.000 1.076 500 M CB -1.322 31.104 32.600 -0.289 0.000 1.504 500 M HN 0.624 nan 8.290 nan 0.000 0.524 501 H N -0.519 118.550 119.070 -0.001 0.000 2.539 501 H HA 0.209 4.765 4.556 -0.000 0.000 0.269 501 H C -0.079 175.244 175.328 -0.010 0.000 0.980 501 H CA -0.033 56.012 56.048 -0.005 0.000 1.152 501 H CB 0.271 30.032 29.762 -0.002 0.000 1.407 501 H HN 0.257 nan 8.280 nan 0.000 0.564 502 D N 0.778 121.215 120.400 0.061 0.000 2.283 502 D HA 0.025 4.665 4.640 -0.000 0.000 0.248 502 D C 1.252 177.560 176.300 0.014 0.000 1.072 502 D CA -0.223 53.797 54.000 0.033 0.000 0.929 502 D CB 1.518 42.326 40.800 0.014 0.000 1.182 502 D HN 0.215 nan 8.370 nan 0.000 0.433 503 E N 0.035 120.241 120.200 0.010 0.000 2.086 503 E HA -0.215 4.135 4.350 -0.000 0.000 0.200 503 E C 1.618 178.212 176.600 -0.011 0.000 1.012 503 E CA 1.861 58.262 56.400 0.001 0.000 0.812 503 E CB -0.092 29.608 29.700 0.000 0.000 0.743 503 E HN 0.568 nan 8.360 nan 0.000 0.453 504 T N -1.565 112.981 114.554 -0.013 0.000 3.113 504 T HA 0.291 4.641 4.350 -0.000 0.000 0.256 504 T C 1.872 176.548 174.700 -0.039 0.000 1.131 504 T CA 0.451 62.536 62.100 -0.024 0.000 1.074 504 T CB 0.160 69.018 68.868 -0.017 0.000 0.944 504 T HN 0.195 nan 8.240 nan 0.000 0.516 505 A N 2.714 125.511 122.820 -0.038 0.000 1.896 505 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 505 A C 2.355 179.892 177.584 -0.078 0.000 1.206 505 A CA 2.313 54.316 52.037 -0.057 0.000 0.647 505 A CB -0.904 18.061 19.000 -0.059 0.000 0.828 505 A HN 0.602 nan 8.150 nan 0.000 0.455 506 K N -0.953 119.403 120.400 -0.073 0.000 2.026 506 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 506 K C 1.498 178.025 176.600 -0.123 0.000 1.048 506 K CA 1.777 58.008 56.287 -0.092 0.000 0.929 506 K CB -0.260 32.196 32.500 -0.074 0.000 0.713 506 K HN 0.483 nan 8.250 nan 0.000 0.439 507 D N 0.921 121.257 120.400 -0.105 0.000 2.144 507 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 507 D C 1.431 177.642 176.300 -0.148 0.000 0.978 507 D CA 0.970 54.893 54.000 -0.128 0.000 0.833 507 D CB -0.145 40.609 40.800 -0.076 0.000 0.961 507 D HN 0.291 nan 8.370 nan 0.000 0.470 508 D N 0.015 120.350 120.400 -0.109 0.000 2.219 508 D HA -0.090 4.550 4.640 -0.000 0.000 0.205 508 D C 1.792 178.007 176.300 -0.143 0.000 0.970 508 D CA 1.065 55.004 54.000 -0.101 0.000 0.851 508 D CB -0.159 40.600 40.800 -0.069 0.000 0.943 508 D HN 0.301 nan 8.370 nan 0.000 0.488 509 T N -2.406 112.050 114.554 -0.164 0.000 3.176 509 T HA 0.189 4.538 4.350 -0.000 0.000 0.263 509 T C 1.433 175.987 174.700 -0.242 0.000 1.021 509 T CA -0.486 61.509 62.100 -0.175 0.000 0.905 509 T CB 0.545 69.331 68.868 -0.137 0.000 1.057 509 T HN -0.038 nan 8.240 nan 0.000 0.558 510 R N 0.193 120.462 120.500 -0.385 0.000 2.115 510 R HA -0.015 4.325 4.340 -0.000 0.000 0.230 510 R C 0.304 176.228 176.300 -0.627 0.000 1.111 510 R CA 1.191 56.936 56.100 -0.591 0.000 0.976 510 R CB -0.021 29.730 30.300 -0.916 0.000 0.870 510 R HN 0.537 nan 8.270 nan 0.000 0.445 511 Y N -1.250 118.969 120.300 -0.135 0.000 2.696 511 Y HA 0.502 5.052 4.550 -0.000 0.000 0.260 511 Y C 0.341 176.135 175.900 -0.178 0.000 1.165 511 Y CA -0.096 57.912 58.100 -0.152 0.000 1.189 511 Y CB 1.437 39.794 38.460 -0.172 0.000 1.180 511 Y HN 0.127 nan 8.280 nan 0.000 0.538 512 G N -0.945 107.800 108.800 -0.092 0.000 2.377 512 G HA2 0.310 4.270 3.960 -0.000 0.000 0.297 512 G HA3 0.310 4.270 3.960 -0.000 0.000 0.297 512 G C -1.162 173.662 174.900 -0.126 0.000 1.547 512 G CA -0.967 44.064 45.100 -0.114 0.000 0.833 512 G HN -0.178 nan 8.290 nan 0.000 0.583 513 T N 0.705 115.190 114.554 -0.115 0.000 2.907 513 T HA 0.377 4.727 4.350 -0.000 0.000 0.298 513 T C 0.290 174.918 174.700 -0.119 0.000 1.017 513 T CA -0.060 61.978 62.100 -0.103 0.000 1.118 513 T CB 1.324 70.147 68.868 -0.074 0.000 0.948 513 T HN 0.610 nan 8.240 nan 0.000 0.531 514 L N 5.481 126.639 121.223 -0.107 0.000 2.363 514 L HA 0.333 4.673 4.340 -0.000 0.000 0.286 514 L C 0.963 177.763 176.870 -0.116 0.000 1.106 514 L CA 0.071 54.843 54.840 -0.114 0.000 0.859 514 L CB -0.425 41.583 42.059 -0.085 0.000 1.223 514 L HN 0.715 nan 8.230 nan 0.000 0.446 515 I N -0.063 120.400 120.570 -0.178 0.000 3.645 515 I HA 0.405 4.575 4.170 -0.000 0.000 0.300 515 I C -0.013 175.989 176.117 -0.191 0.000 1.260 515 I CA 0.092 61.293 61.300 -0.166 0.000 1.365 515 I CB 0.193 38.080 38.000 -0.189 0.000 1.077 515 I HN 0.524 nan 8.210 nan 0.000 0.439 516 D N -0.441 119.809 120.400 -0.249 0.000 2.639 516 D HA 0.295 4.935 4.640 -0.000 0.000 0.271 516 D C -0.947 175.297 176.300 -0.093 0.000 1.254 516 D CA -0.567 53.313 54.000 -0.199 0.000 0.810 516 D CB 1.145 41.827 40.800 -0.196 0.000 1.351 516 D HN 0.167 nan 8.370 nan 0.000 0.427 517 H N 1.382 120.461 119.070 0.015 0.000 3.107 517 H HA 0.165 4.721 4.556 -0.000 0.000 0.301 517 H C 0.238 175.574 175.328 0.013 0.000 0.981 517 H CA 0.671 56.732 56.048 0.021 0.000 1.443 517 H CB -0.090 29.705 29.762 0.055 0.000 1.479 517 H HN 0.402 nan 8.280 nan 0.000 0.564 518 N N 1.079 119.850 118.700 0.118 0.000 2.800 518 N HA -0.192 4.548 4.740 -0.000 0.000 0.250 518 N C -1.132 174.387 175.510 0.016 0.000 1.078 518 N CA 0.908 53.996 53.050 0.064 0.000 0.804 518 N CB -0.923 37.620 38.487 0.093 0.000 1.135 518 N HN 0.475 nan 8.380 nan 0.000 0.565 519 I N 0.395 120.930 120.570 -0.058 0.000 2.466 519 I HA 0.429 4.599 4.170 -0.000 0.000 0.289 519 I C -0.513 175.460 176.117 -0.240 0.000 1.026 519 I CA -0.993 60.201 61.300 -0.177 0.000 1.078 519 I CB 1.980 39.765 38.000 -0.359 0.000 1.249 519 I HN -0.253 nan 8.210 nan 0.000 0.429 520 V N 4.639 124.433 119.914 -0.201 0.000 2.487 520 V HA 0.467 4.587 4.120 -0.000 0.000 0.298 520 V C 0.556 176.523 176.094 -0.212 0.000 1.028 520 V CA -0.563 61.616 62.300 -0.201 0.000 0.860 520 V CB 1.875 33.598 31.823 -0.167 0.000 0.991 520 V HN 0.889 nan 8.190 nan 0.000 0.427 521 G N 2.798 111.476 108.800 -0.203 0.000 2.621 521 G HA2 0.307 4.267 3.960 -0.000 0.000 0.306 521 G HA3 0.307 4.267 3.960 -0.000 0.000 0.306 521 G C 0.330 175.165 174.900 -0.109 0.000 0.893 521 G CA -0.126 44.894 45.100 -0.134 0.000 1.486 521 G HN 0.651 nan 8.290 nan 0.000 0.477 522 T N 2.492 116.967 114.554 -0.131 0.000 2.866 522 T HA 0.053 4.403 4.350 -0.000 0.000 0.293 522 T C 1.170 175.922 174.700 0.086 0.000 1.005 522 T CA 0.481 62.493 62.100 -0.148 0.000 1.162 522 T CB 0.380 68.965 68.868 -0.472 0.000 0.968 522 T HN 0.421 nan 8.240 nan 0.000 0.530 523 T N 5.452 120.003 114.554 -0.005 0.000 2.940 523 T HA 0.236 4.586 4.350 -0.000 0.000 0.309 523 T C 0.326 174.991 174.700 -0.059 0.000 1.056 523 T CA -0.109 61.951 62.100 -0.066 0.000 1.137 523 T CB 0.014 68.817 68.868 -0.108 0.000 0.976 523 T HN 0.862 nan 8.240 nan 0.000 0.547 524 H N 0.104 118.957 119.070 -0.360 0.000 2.883 524 H HA 0.470 5.026 4.556 -0.000 0.000 0.277 524 H C -1.419 173.684 175.328 -0.374 0.000 1.451 524 H CA -1.099 54.631 56.048 -0.530 0.000 1.157 524 H CB 0.967 30.004 29.762 -1.207 0.000 1.851 524 H HN 0.538 nan 8.280 nan 0.000 0.566 525 Q N 0.063 119.634 119.800 -0.382 0.000 2.433 525 Q HA 0.379 4.719 4.340 -0.000 0.000 0.279 525 Q C -1.069 174.737 176.000 -0.323 0.000 1.105 525 Q CA -0.990 54.632 55.803 -0.302 0.000 0.815 525 Q CB 2.839 31.496 28.738 -0.136 0.000 1.403 525 Q HN 0.491 nan 8.270 nan 0.000 0.435 526 H N 1.422 120.445 119.070 -0.078 0.000 2.708 526 H HA 0.463 5.019 4.556 -0.000 0.000 0.320 526 H C -0.902 174.204 175.328 -0.370 0.000 0.991 526 H CA -0.268 55.664 56.048 -0.193 0.000 1.243 526 H CB 0.738 30.452 29.762 -0.080 0.000 1.446 526 H HN 0.461 nan 8.280 nan 0.000 0.502 527 I N 4.897 125.273 120.570 -0.323 0.000 2.411 527 I HA 0.177 4.347 4.170 -0.000 0.000 0.284 527 I C -0.856 175.122 176.117 -0.233 0.000 1.012 527 I CA -0.724 60.451 61.300 -0.209 0.000 1.119 527 I CB 0.884 38.845 38.000 -0.066 0.000 1.261 527 I HN 0.333 nan 8.210 nan 0.000 0.448 528 Y N 4.284 124.669 120.300 0.142 0.000 2.342 528 Y HA 0.442 4.992 4.550 -0.000 0.000 0.334 528 Y C 0.138 176.018 175.900 -0.033 0.000 1.067 528 Y CA -0.848 57.256 58.100 0.007 0.000 1.128 528 Y CB 1.272 39.727 38.460 -0.008 0.000 1.200 528 Y HN 0.500 nan 8.280 nan 0.000 0.464 529 N N 1.617 120.276 118.700 -0.069 0.000 2.296 529 N HA 0.551 5.291 4.740 -0.000 0.000 0.294 529 N C -2.097 173.238 175.510 -0.293 0.000 1.033 529 N CA -0.473 52.563 53.050 -0.023 0.000 0.839 529 N CB 0.890 39.376 38.487 -0.002 0.000 1.395 529 N HN 0.358 nan 8.380 nan 0.000 0.479 530 F N 1.374 121.450 119.950 0.210 0.000 2.467 530 F HA 0.452 4.979 4.527 -0.000 0.000 0.336 530 F C 0.609 176.434 175.800 0.042 0.000 1.123 530 F CA -0.825 57.253 58.000 0.131 0.000 0.964 530 F CB 1.578 40.623 39.000 0.075 0.000 1.136 530 F HN 0.304 nan 8.300 nan 0.000 0.447 531 R N 4.700 125.227 120.500 0.044 0.000 2.196 531 R HA 0.572 4.912 4.340 -0.000 0.000 0.340 531 R C -1.639 174.495 176.300 -0.276 0.000 1.043 531 R CA -0.296 55.522 56.100 -0.469 0.000 0.883 531 R CB 0.257 30.122 30.300 -0.726 0.000 1.078 531 R HN 0.783 nan 8.270 nan 0.000 0.462 532 L N 4.728 125.774 121.223 -0.296 0.000 2.384 532 L HA 0.241 4.581 4.340 -0.000 0.000 0.261 532 L C -0.483 176.294 176.870 -0.155 0.000 1.024 532 L CA -0.782 53.975 54.840 -0.138 0.000 0.899 532 L CB 1.494 43.530 42.059 -0.039 0.000 1.243 532 L HN 0.576 nan 8.230 nan 0.000 0.449 533 D N 4.156 124.478 120.400 -0.130 0.000 2.545 533 D HA 0.191 4.831 4.640 -0.000 0.000 0.227 533 D C -0.070 176.247 176.300 0.029 0.000 1.150 533 D CA 0.011 53.987 54.000 -0.039 0.000 1.046 533 D CB 0.151 40.970 40.800 0.031 0.000 1.098 533 D HN 0.304 nan 8.370 nan 0.000 0.502 534 L N 2.104 123.333 121.223 0.010 0.000 2.380 534 L HA 0.275 4.615 4.340 -0.000 0.000 0.273 534 L C 0.186 177.097 176.870 0.068 0.000 1.138 534 L CA -0.169 54.684 54.840 0.021 0.000 0.832 534 L CB 0.823 42.861 42.059 -0.035 0.000 1.124 534 L HN 0.141 nan 8.230 nan 0.000 0.454 535 D N 2.550 123.017 120.400 0.112 0.000 2.412 535 D HA 0.163 4.803 4.640 -0.000 0.000 0.276 535 D C -0.421 175.921 176.300 0.071 0.000 1.196 535 D CA -0.262 53.800 54.000 0.103 0.000 0.905 535 D CB 1.584 42.488 40.800 0.173 0.000 1.081 535 D HN 0.042 nan 8.370 nan 0.000 0.502 536 V N 2.553 122.515 119.914 0.080 0.000 2.416 536 V HA -0.059 4.061 4.120 -0.000 0.000 0.260 536 V C 1.125 177.349 176.094 0.218 0.000 1.018 536 V CA 0.291 62.695 62.300 0.174 0.000 1.120 536 V CB -0.094 31.863 31.823 0.224 0.000 1.081 536 V HN 0.562 nan 8.190 nan 0.000 0.474 537 D N 3.446 124.012 120.400 0.276 0.000 2.955 537 D HA -0.152 4.488 4.640 -0.000 0.000 0.226 537 D C 0.357 176.637 176.300 -0.032 0.000 1.178 537 D CA 1.784 55.858 54.000 0.123 0.000 0.808 537 D CB -0.941 39.858 40.800 -0.003 0.000 1.099 537 D HN 1.178 nan 8.370 nan 0.000 0.421 538 G N -1.321 107.443 108.800 -0.060 0.000 2.339 538 G HA2 0.196 4.156 3.960 -0.000 0.000 0.302 538 G HA3 0.196 4.156 3.960 -0.000 0.000 0.302 538 G C 0.078 174.933 174.900 -0.074 0.000 1.425 538 G CA 0.295 45.327 45.100 -0.114 0.000 0.899 538 G HN 0.084 nan 8.290 nan 0.000 0.619 539 E N -0.272 119.877 120.200 -0.084 0.000 2.028 539 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 539 E C 0.368 176.965 176.600 -0.006 0.000 0.988 539 E CA 0.624 57.000 56.400 -0.039 0.000 0.799 539 E CB -0.097 29.575 29.700 -0.047 0.000 0.755 539 E HN 0.385 nan 8.360 nan 0.000 0.447 540 N N 2.307 121.003 118.700 -0.006 0.000 2.405 540 N HA 0.093 4.833 4.740 -0.000 0.000 0.260 540 N C -0.783 174.739 175.510 0.020 0.000 1.152 540 N CA 0.192 53.249 53.050 0.011 0.000 0.948 540 N CB 0.720 39.212 38.487 0.007 0.000 1.111 540 N HN 0.190 nan 8.380 nan 0.000 0.485 541 N N 0.092 118.812 118.700 0.033 0.000 2.761 541 N HA 0.467 5.207 4.740 -0.000 0.000 0.283 541 N C -0.809 174.725 175.510 0.040 0.000 1.377 541 N CA -0.446 52.628 53.050 0.041 0.000 0.791 541 N CB 1.496 40.015 38.487 0.053 0.000 1.540 541 N HN 0.212 nan 8.380 nan 0.000 0.539 542 S N 0.165 115.888 115.700 0.038 0.000 2.564 542 S HA 0.476 4.946 4.470 -0.000 0.000 0.274 542 S C -1.329 173.285 174.600 0.023 0.000 1.124 542 S CA -0.553 57.666 58.200 0.032 0.000 0.869 542 S CB 2.006 65.221 63.200 0.024 0.000 1.105 542 S HN 0.413 nan 8.310 nan 0.000 0.472 543 L N 3.101 124.335 121.223 0.018 0.000 2.264 543 L HA 0.681 5.021 4.340 -0.000 0.000 0.289 543 L C -1.214 175.628 176.870 -0.047 0.000 1.044 543 L CA -0.151 54.689 54.840 -0.001 0.000 0.807 543 L CB 0.742 42.815 42.059 0.022 0.000 1.192 543 L HN 0.459 nan 8.230 nan 0.000 0.425 544 V N 4.901 124.760 119.914 -0.092 0.000 2.555 544 V HA 0.832 4.952 4.120 -0.000 0.000 0.302 544 V C 0.145 176.082 176.094 -0.262 0.000 1.038 544 V CA -0.549 61.651 62.300 -0.166 0.000 0.887 544 V CB 1.445 33.186 31.823 -0.136 0.000 0.991 544 V HN 0.939 nan 8.190 nan 0.000 0.434 545 A N 5.861 128.415 122.820 -0.444 0.000 2.312 545 A HA 0.943 5.263 4.320 -0.000 0.000 0.326 545 A C -0.492 176.805 177.584 -0.478 0.000 1.172 545 A CA -0.586 51.123 52.037 -0.545 0.000 0.821 545 A CB 0.988 19.413 19.000 -0.959 0.000 1.166 545 A HN 0.831 nan 8.150 nan 0.000 0.493 546 M N 2.863 122.286 119.600 -0.295 0.000 2.060 546 M HA 0.231 4.711 4.480 -0.000 0.000 0.275 546 M C -1.685 174.567 176.300 -0.080 0.000 0.919 546 M CA -0.435 54.764 55.300 -0.168 0.000 0.970 546 M CB 1.713 34.195 32.600 -0.196 0.000 1.670 546 M HN 0.571 nan 8.290 nan 0.000 0.440 547 D N 4.833 125.239 120.400 0.010 0.000 2.373 547 D HA 0.349 4.989 4.640 -0.000 0.000 0.227 547 D C -2.480 173.845 176.300 0.042 0.000 1.091 547 D CA -1.359 52.664 54.000 0.039 0.000 0.840 547 D CB 1.220 42.083 40.800 0.106 0.000 1.060 547 D HN 0.134 nan 8.370 nan 0.000 0.502 548 P HA -0.010 nan 4.420 nan 0.000 0.267 548 P C -0.326 176.992 177.300 0.030 0.000 1.209 548 P CA -0.142 62.979 63.100 0.035 0.000 0.763 548 P CB 0.774 32.495 31.700 0.034 0.000 0.816 549 V N 1.585 121.519 119.914 0.032 0.000 3.102 549 V HA 0.609 4.729 4.120 -0.000 0.000 0.312 549 V C -0.611 175.496 176.094 0.022 0.000 1.135 549 V CA -1.083 61.232 62.300 0.025 0.000 1.022 549 V CB 2.329 34.169 31.823 0.027 0.000 1.056 549 V HN 0.074 nan 8.190 nan 0.000 0.436 550 V N 2.535 122.459 119.914 0.016 0.000 2.350 550 V HA 0.544 4.664 4.120 -0.000 0.000 0.276 550 V C 0.136 176.237 176.094 0.012 0.000 1.028 550 V CA -0.368 61.940 62.300 0.014 0.000 0.860 550 V CB 0.879 32.709 31.823 0.011 0.000 0.990 550 V HN 0.974 nan 8.190 nan 0.000 0.453 551 K N 5.087 125.494 120.400 0.012 0.000 2.340 551 K HA 0.569 4.889 4.320 -0.000 0.000 0.244 551 K C -2.824 173.781 176.600 0.009 0.000 0.973 551 K CA -2.068 54.225 56.287 0.010 0.000 0.828 551 K CB 2.340 34.847 32.500 0.012 0.000 1.226 551 K HN 0.310 nan 8.250 nan 0.000 0.437 552 P HA -0.052 nan 4.420 nan 0.000 0.268 552 P C -0.975 176.329 177.300 0.006 0.000 1.205 552 P CA -0.094 63.010 63.100 0.006 0.000 0.771 552 P CB 0.360 32.062 31.700 0.004 0.000 0.858 553 N N 1.520 120.224 118.700 0.006 0.000 2.475 553 N HA 0.063 4.803 4.740 -0.000 0.000 0.267 553 N C 0.435 175.948 175.510 0.005 0.000 1.169 553 N CA -0.024 53.029 53.050 0.006 0.000 0.947 553 N CB 0.391 38.881 38.487 0.006 0.000 1.061 553 N HN 0.392 nan 8.380 nan 0.000 0.466 554 T N -0.016 114.541 114.554 0.006 0.000 3.084 554 T HA 0.278 4.628 4.350 -0.000 0.000 0.270 554 T C 1.038 175.741 174.700 0.005 0.000 1.008 554 T CA -0.150 61.953 62.100 0.005 0.000 0.900 554 T CB 0.472 69.343 68.868 0.005 0.000 1.084 554 T HN 0.425 nan 8.240 nan 0.000 0.538 555 A N 0.946 123.769 122.820 0.005 0.000 2.195 555 A HA 0.730 5.050 4.320 -0.000 0.000 0.210 555 A C 1.480 179.066 177.584 0.004 0.000 1.165 555 A CA 0.374 52.413 52.037 0.004 0.000 0.806 555 A CB -0.639 18.364 19.000 0.005 0.000 0.847 555 A HN 1.440 nan 8.150 nan 0.000 0.482 556 G N -2.329 106.474 108.800 0.004 0.000 2.631 556 G HA2 0.481 4.441 3.960 -0.000 0.000 0.504 556 G HA3 0.481 4.441 3.960 -0.000 0.000 0.504 556 G C 0.687 175.589 174.900 0.003 0.000 1.306 556 G CA -0.118 44.983 45.100 0.003 0.000 0.897 556 G HN 2.463 nan 8.290 nan 0.000 0.520 557 G N -1.474 107.327 108.800 0.003 0.000 2.756 557 G HA2 0.271 4.231 3.960 -0.000 0.000 0.678 557 G HA3 0.271 4.231 3.960 -0.000 0.000 0.678 557 G C -0.817 174.084 174.900 0.003 0.000 1.349 557 G CA 0.486 45.588 45.100 0.003 0.000 0.847 557 G HN 1.331 nan 8.290 nan 0.000 0.548 558 P HA -0.017 nan 4.420 nan 0.000 0.218 558 P C 1.048 178.350 177.300 0.003 0.000 1.148 558 P CA 0.728 63.829 63.100 0.003 0.000 0.822 558 P CB 0.076 31.778 31.700 0.003 0.000 0.784 559 R N 0.088 120.590 120.500 0.004 0.000 2.585 559 R HA 0.039 4.379 4.340 -0.000 0.000 0.275 559 R C 1.447 177.750 176.300 0.004 0.000 1.018 559 R CA 0.975 57.078 56.100 0.005 0.000 1.072 559 R CB -0.325 29.978 30.300 0.005 0.000 0.953 559 R HN 0.247 nan 8.270 nan 0.000 0.419 560 T N -2.445 112.112 114.554 0.005 0.000 3.037 560 T HA 0.042 4.392 4.350 -0.000 0.000 0.252 560 T C 0.832 175.536 174.700 0.005 0.000 1.073 560 T CA 0.318 62.421 62.100 0.004 0.000 1.091 560 T CB 0.228 69.098 68.868 0.004 0.000 0.935 560 T HN 0.532 nan 8.240 nan 0.000 0.488 561 S N 0.806 116.509 115.700 0.006 0.000 2.661 561 S HA 0.759 5.229 4.470 -0.000 0.000 0.285 561 S C -0.583 174.022 174.600 0.009 0.000 1.138 561 S CA -0.410 57.794 58.200 0.007 0.000 0.855 561 S CB 1.997 65.202 63.200 0.007 0.000 1.136 561 S HN 0.706 nan 8.310 nan 0.000 0.484 562 T N -1.764 112.796 114.554 0.011 0.000 2.841 562 T HA 0.660 5.010 4.350 -0.000 0.000 0.296 562 T C -0.847 173.862 174.700 0.016 0.000 1.166 562 T CA -0.968 61.140 62.100 0.013 0.000 1.007 562 T CB 1.226 70.102 68.868 0.013 0.000 1.253 562 T HN 0.662 nan 8.240 nan 0.000 0.511 563 M N 2.186 121.797 119.600 0.018 0.000 2.055 563 M HA 0.403 4.883 4.480 -0.000 0.000 0.347 563 M C -0.268 176.049 176.300 0.028 0.000 1.123 563 M CA -0.438 54.876 55.300 0.023 0.000 1.035 563 M CB 1.227 33.841 32.600 0.024 0.000 1.484 563 M HN 0.605 nan 8.290 nan 0.000 0.428 564 Q N 1.421 121.239 119.800 0.031 0.000 2.495 564 Q HA 0.788 5.128 4.340 -0.000 0.000 0.283 564 Q C -1.151 174.876 176.000 0.044 0.000 1.097 564 Q CA -1.106 54.719 55.803 0.036 0.000 0.836 564 Q CB 3.242 31.999 28.738 0.032 0.000 1.426 564 Q HN 0.451 nan 8.270 nan 0.000 0.459 565 V N 1.368 121.313 119.914 0.052 0.000 2.555 565 V HA 0.302 4.422 4.120 -0.000 0.000 0.302 565 V C -0.613 175.521 176.094 0.067 0.000 1.038 565 V CA -0.846 61.489 62.300 0.058 0.000 0.887 565 V CB 1.826 33.688 31.823 0.065 0.000 0.991 565 V HN 0.645 nan 8.190 nan 0.000 0.434 566 N N 3.973 122.724 118.700 0.085 0.000 2.527 566 N HA 0.240 4.980 4.740 -0.000 0.000 0.236 566 N C -0.646 174.982 175.510 0.196 0.000 0.999 566 N CA -0.116 53.015 53.050 0.135 0.000 0.935 566 N CB 1.412 39.985 38.487 0.143 0.000 1.132 566 N HN 0.814 nan 8.380 nan 0.000 0.511 567 Q N 3.597 123.494 119.800 0.161 0.000 2.256 567 Q HA 0.367 4.707 4.340 -0.000 0.000 0.257 567 Q C -1.564 174.570 176.000 0.223 0.000 0.936 567 Q CA -0.657 55.203 55.803 0.096 0.000 0.903 567 Q CB 0.974 29.729 28.738 0.028 0.000 1.263 567 Q HN 0.564 nan 8.270 nan 0.000 0.440 568 Y N -0.047 120.249 120.300 -0.008 0.000 2.604 568 Y HA 0.464 5.014 4.550 -0.000 0.000 0.331 568 Y C -1.658 174.241 175.900 -0.002 0.000 1.158 568 Y CA -1.483 56.615 58.100 -0.002 0.000 1.056 568 Y CB 0.490 38.949 38.460 -0.001 0.000 1.330 568 Y HN 0.547 nan 8.280 nan 0.000 0.457 569 N N 1.488 120.245 118.700 0.094 0.000 2.513 569 N HA 0.553 5.293 4.740 -0.000 0.000 0.274 569 N C -1.140 174.427 175.510 0.095 0.000 1.189 569 N CA -0.362 52.706 53.050 0.030 0.000 0.975 569 N CB 1.009 39.524 38.487 0.046 0.000 1.157 569 N HN 0.699 nan 8.380 nan 0.000 0.465 570 I N 0.665 121.260 120.570 0.043 0.000 2.405 570 I HA 0.269 4.439 4.170 -0.000 0.000 0.280 570 I C 1.082 177.236 176.117 0.062 0.000 1.027 570 I CA -0.419 60.927 61.300 0.076 0.000 1.161 570 I CB 1.445 39.473 38.000 0.047 0.000 1.300 570 I HN 0.696 nan 8.210 nan 0.000 0.463 571 G N 5.427 114.268 108.800 0.069 0.000 2.985 571 G HA2 0.027 3.986 3.960 -0.000 0.000 0.209 571 G HA3 0.027 3.986 3.960 -0.000 0.000 0.209 571 G C 0.277 175.213 174.900 0.059 0.000 1.165 571 G CA -0.084 45.051 45.100 0.059 0.000 0.776 571 G HN 0.750 nan 8.290 nan 0.000 0.541 572 N N -2.094 116.643 118.700 0.063 0.000 2.610 572 N HA 0.210 4.950 4.740 -0.000 0.000 0.264 572 N C 0.140 175.694 175.510 0.073 0.000 1.348 572 N CA -0.720 52.369 53.050 0.066 0.000 0.819 572 N CB 1.134 39.657 38.487 0.058 0.000 1.521 572 N HN -0.091 nan 8.380 nan 0.000 0.497 573 E N -0.044 120.208 120.200 0.086 0.000 2.085 573 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 573 E C 1.219 177.871 176.600 0.086 0.000 0.994 573 E CA 1.434 57.900 56.400 0.110 0.000 0.801 573 E CB -0.021 29.759 29.700 0.132 0.000 0.743 573 E HN 0.505 nan 8.360 nan 0.000 0.453 574 Q N 0.756 120.594 119.800 0.063 0.000 2.084 574 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 574 Q C 1.650 177.647 176.000 -0.005 0.000 0.978 574 Q CA 1.125 56.945 55.803 0.030 0.000 0.844 574 Q CB -0.168 28.590 28.738 0.033 0.000 0.898 574 Q HN 0.348 nan 8.270 nan 0.000 0.426 575 D N 0.275 120.686 120.400 0.017 0.000 2.277 575 D HA -0.014 4.626 4.640 -0.000 0.000 0.208 575 D C 1.581 177.885 176.300 0.007 0.000 0.962 575 D CA 0.936 54.945 54.000 0.016 0.000 0.865 575 D CB 0.068 40.896 40.800 0.047 0.000 0.939 575 D HN 0.198 nan 8.370 nan 0.000 0.510 576 A N 0.849 123.680 122.820 0.018 0.000 2.066 576 A HA 0.190 4.510 4.320 -0.000 0.000 0.218 576 A C 1.473 179.022 177.584 -0.060 0.000 1.157 576 A CA 0.742 52.795 52.037 0.026 0.000 0.670 576 A CB -0.164 18.889 19.000 0.088 0.000 0.804 576 A HN 0.166 nan 8.150 nan 0.000 0.453 577 A N 0.908 123.623 122.820 -0.175 0.000 2.437 577 A HA 0.519 4.839 4.320 -0.000 0.000 0.303 577 A C 0.104 177.421 177.584 -0.445 0.000 1.324 577 A CA -0.193 51.504 52.037 -0.568 0.000 0.983 577 A CB -0.492 18.060 19.000 -0.747 0.000 1.142 577 A HN 0.680 nan 8.150 nan 0.000 0.541 578 Q N 1.764 121.338 119.800 -0.376 0.000 2.590 578 Q HA 0.532 4.872 4.340 -0.000 0.000 0.295 578 Q C -1.176 174.771 176.000 -0.089 0.000 0.973 578 Q CA -1.358 54.338 55.803 -0.180 0.000 0.768 578 Q CB 1.014 29.717 28.738 -0.058 0.000 1.479 578 Q HN 0.306 nan 8.270 nan 0.000 0.419 579 K N 0.661 121.049 120.400 -0.021 0.000 2.258 579 K HA 0.329 4.649 4.320 -0.000 0.000 0.264 579 K C -0.985 175.698 176.600 0.139 0.000 1.007 579 K CA -0.146 56.170 56.287 0.049 0.000 0.941 579 K CB 0.372 32.886 32.500 0.023 0.000 0.966 579 K HN 0.602 nan 8.250 nan 0.000 0.480 580 F N 1.747 121.713 119.950 0.027 0.000 2.444 580 F HA 0.163 4.690 4.527 -0.000 0.000 0.342 580 F C -0.164 175.673 175.800 0.060 0.000 1.121 580 F CA -1.200 56.832 58.000 0.053 0.000 0.997 580 F CB 1.120 40.179 39.000 0.098 0.000 1.130 580 F HN 0.340 nan 8.300 nan 0.000 0.454 581 D N 8.502 128.471 120.400 -0.718 0.000 2.373 581 D HA 0.256 4.896 4.640 -0.000 0.000 0.227 581 D C -1.872 173.811 176.300 -1.029 0.000 1.091 581 D CA -2.294 51.358 54.000 -0.580 0.000 0.840 581 D CB 1.978 42.593 40.800 -0.309 0.000 1.060 581 D HN 0.328 nan 8.370 nan 0.000 0.502 582 P HA -0.023 nan 4.420 nan 0.000 0.236 582 P C 0.945 178.156 177.300 -0.147 0.000 1.172 582 P CA 0.358 63.283 63.100 -0.292 0.000 0.759 582 P CB 0.295 32.121 31.700 0.210 0.000 0.843 583 G N -0.441 108.244 108.800 -0.192 0.000 2.986 583 G HA2 0.047 4.007 3.960 -0.000 0.000 0.213 583 G HA3 0.047 4.007 3.960 -0.000 0.000 0.213 583 G C 0.668 175.514 174.900 -0.090 0.000 1.156 583 G CA 0.369 45.418 45.100 -0.085 0.000 0.763 583 G HN 0.412 nan 8.290 nan 0.000 0.547 584 T N -1.569 112.877 114.554 -0.180 0.000 2.937 584 T HA 0.740 5.090 4.350 -0.000 0.000 0.283 584 T C -0.371 174.293 174.700 -0.060 0.000 1.012 584 T CA -0.809 61.222 62.100 -0.116 0.000 0.997 584 T CB 2.194 70.984 68.868 -0.130 0.000 1.136 584 T HN -0.071 nan 8.240 nan 0.000 0.551 585 I N 0.736 121.270 120.570 -0.060 0.000 2.569 585 I HA 0.553 4.723 4.170 -0.000 0.000 0.296 585 I C -0.222 175.830 176.117 -0.108 0.000 1.028 585 I CA -1.178 60.065 61.300 -0.095 0.000 1.082 585 I CB 1.918 39.747 38.000 -0.284 0.000 1.264 585 I HN 0.407 nan 8.210 nan 0.000 0.429 586 R N 6.679 127.143 120.500 -0.059 0.000 2.483 586 R HA 0.642 4.982 4.340 -0.000 0.000 0.303 586 R C -1.440 174.784 176.300 -0.127 0.000 0.987 586 R CA -0.684 55.378 56.100 -0.063 0.000 0.881 586 R CB 1.964 32.316 30.300 0.087 0.000 1.177 586 R HN 0.554 nan 8.270 nan 0.000 0.451 587 L N 3.023 124.139 121.223 -0.178 0.000 2.342 587 L HA 0.563 4.903 4.340 -0.000 0.000 0.271 587 L C -0.458 176.381 176.870 -0.052 0.000 1.008 587 L CA -1.319 53.431 54.840 -0.150 0.000 0.818 587 L CB 1.873 43.768 42.059 -0.273 0.000 1.296 587 L HN 0.235 nan 8.230 nan 0.000 0.427 588 L N 1.900 123.135 121.223 0.020 0.000 2.277 588 L HA 0.488 4.827 4.340 -0.000 0.000 0.284 588 L C -0.276 176.642 176.870 0.080 0.000 1.028 588 L CA 0.411 55.282 54.840 0.052 0.000 0.835 588 L CB 1.123 43.227 42.059 0.076 0.000 1.215 588 L HN 0.552 nan 8.230 nan 0.000 0.425 589 S N 3.391 119.123 115.700 0.053 0.000 2.690 589 S HA 0.499 4.969 4.470 -0.000 0.000 0.291 589 S C -0.399 174.242 174.600 0.068 0.000 1.138 589 S CA -0.724 57.518 58.200 0.070 0.000 1.013 589 S CB 1.284 64.506 63.200 0.036 0.000 1.053 589 S HN 0.638 nan 8.310 nan 0.000 0.539 590 N N 2.288 121.029 118.700 0.069 0.000 2.706 590 N HA 0.264 5.004 4.740 -0.000 0.000 0.240 590 N C -2.080 173.442 175.510 0.021 0.000 1.039 590 N CA -2.110 50.965 53.050 0.043 0.000 0.888 590 N CB 1.245 39.756 38.487 0.041 0.000 1.128 590 N HN 0.236 nan 8.380 nan 0.000 0.512 591 P HA -0.049 nan 4.420 nan 0.000 0.236 591 P C 0.044 177.344 177.300 0.001 0.000 1.172 591 P CA 0.785 63.892 63.100 0.011 0.000 0.759 591 P CB 0.504 32.212 31.700 0.014 0.000 0.843 592 N N -0.230 118.467 118.700 -0.006 0.000 2.282 592 N HA 0.081 4.821 4.740 -0.000 0.000 0.185 592 N C 0.398 175.889 175.510 -0.031 0.000 1.099 592 N CA 0.363 53.404 53.050 -0.016 0.000 0.878 592 N CB 0.668 39.144 38.487 -0.018 0.000 0.993 592 N HN 0.321 nan 8.380 nan 0.000 0.481 593 K N 0.892 121.269 120.400 -0.038 0.000 2.464 593 K HA 0.394 4.714 4.320 -0.000 0.000 0.253 593 K C -0.707 175.853 176.600 -0.068 0.000 0.933 593 K CA -0.483 55.764 56.287 -0.066 0.000 0.801 593 K CB 2.535 34.974 32.500 -0.101 0.000 1.271 593 K HN -0.010 nan 8.250 nan 0.000 0.430 594 E N 0.913 121.067 120.200 -0.076 0.000 2.378 594 E HA 0.219 4.568 4.350 -0.000 0.000 0.265 594 E C -0.852 175.689 176.600 -0.098 0.000 0.932 594 E CA -1.047 55.313 56.400 -0.066 0.000 0.795 594 E CB 1.810 31.487 29.700 -0.038 0.000 1.296 594 E HN 0.675 nan 8.360 nan 0.000 0.438 595 N N -0.346 118.304 118.700 -0.084 0.000 2.538 595 N HA 0.199 4.939 4.740 -0.000 0.000 0.292 595 N C 0.806 176.279 175.510 -0.061 0.000 1.262 595 N CA -0.819 52.175 53.050 -0.094 0.000 0.976 595 N CB 1.196 39.633 38.487 -0.084 0.000 1.161 595 N HN 0.356 nan 8.380 nan 0.000 0.598 596 R N -0.949 119.520 120.500 -0.052 0.000 2.211 596 R HA -0.076 4.264 4.340 -0.000 0.000 0.240 596 R C 0.787 177.068 176.300 -0.031 0.000 1.144 596 R CA 1.546 57.623 56.100 -0.038 0.000 0.992 596 R CB -0.165 30.116 30.300 -0.032 0.000 0.869 596 R HN 0.618 nan 8.270 nan 0.000 0.462 597 M N -0.963 118.619 119.600 -0.030 0.000 2.431 597 M HA 0.271 4.751 4.480 -0.000 0.000 0.237 597 M C 0.802 177.093 176.300 -0.015 0.000 1.130 597 M CA 0.650 55.936 55.300 -0.023 0.000 1.002 597 M CB 1.411 33.996 32.600 -0.025 0.000 1.524 597 M HN 0.336 nan 8.290 nan 0.000 0.482 598 G N 0.475 109.264 108.800 -0.017 0.000 2.141 598 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 598 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 598 G C -0.056 174.845 174.900 0.002 0.000 0.982 598 G CA -0.046 45.048 45.100 -0.010 0.000 0.662 598 G HN 0.514 nan 8.290 nan 0.000 0.527 599 N N 1.185 119.889 118.700 0.006 0.000 2.473 599 N HA 0.543 5.282 4.740 -0.000 0.000 0.291 599 N C -2.732 172.795 175.510 0.030 0.000 1.083 599 N CA -1.636 51.434 53.050 0.035 0.000 0.951 599 N CB 1.426 39.950 38.487 0.061 0.000 1.164 599 N HN -0.013 nan 8.380 nan 0.000 0.480 600 P HA -0.036 nan 4.420 nan 0.000 0.267 600 P C -0.575 176.763 177.300 0.064 0.000 1.209 600 P CA -0.313 62.811 63.100 0.039 0.000 0.763 600 P CB 0.419 32.147 31.700 0.045 0.000 0.816 601 V N 1.936 121.859 119.914 0.016 0.000 2.540 601 V HA 0.345 4.465 4.120 -0.000 0.000 0.297 601 V C 0.062 176.277 176.094 0.202 0.000 1.024 601 V CA 0.465 62.785 62.300 0.034 0.000 1.105 601 V CB -0.197 31.510 31.823 -0.192 0.000 0.938 601 V HN 0.467 nan 8.190 nan 0.000 0.482 602 S N 3.077 118.958 115.700 0.302 0.000 2.671 602 S HA 0.755 5.224 4.470 -0.000 0.000 0.277 602 S C -1.470 173.282 174.600 0.254 0.000 1.165 602 S CA -0.533 57.837 58.200 0.284 0.000 0.822 602 S CB 1.735 65.043 63.200 0.180 0.000 1.150 602 S HN 0.741 nan 8.310 nan 0.000 0.479 603 Y N 1.531 121.891 120.300 0.101 0.000 2.373 603 Y HA 0.403 4.953 4.550 0.000 0.000 0.336 603 Y C -0.041 175.879 175.900 0.033 0.000 0.979 603 Y CA -0.441 57.690 58.100 0.051 0.000 1.080 603 Y CB 1.712 40.155 38.460 -0.028 0.000 1.190 603 Y HN 0.617 nan 8.280 nan 0.000 0.446 604 Q N 4.627 124.487 119.800 0.100 0.000 2.296 604 Q HA 0.426 4.766 4.340 -0.000 0.000 0.262 604 Q C -1.141 174.895 176.000 0.059 0.000 0.981 604 Q CA -0.182 55.647 55.803 0.043 0.000 0.905 604 Q CB 0.571 29.387 28.738 0.130 0.000 1.186 604 Q HN 0.672 nan 8.270 nan 0.000 0.399 605 I N 6.035 126.610 120.570 0.008 0.000 2.312 605 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 605 I C -0.311 175.718 176.117 -0.146 0.000 1.008 605 I CA -0.410 60.868 61.300 -0.037 0.000 1.226 605 I CB 0.971 38.951 38.000 -0.034 0.000 1.371 605 I HN 0.567 nan 8.210 nan 0.000 0.468 606 I N 8.575 129.037 120.570 -0.180 0.000 2.555 606 I HA 0.242 4.412 4.170 -0.000 0.000 0.275 606 I C -1.851 174.058 176.117 -0.347 0.000 1.082 606 I CA -1.485 59.636 61.300 -0.298 0.000 1.167 606 I CB 1.300 39.279 38.000 -0.035 0.000 1.312 606 I HN 0.333 nan 8.210 nan 0.000 0.493 607 P HA -0.172 nan 4.420 nan 0.000 0.219 607 P C -0.387 176.952 177.300 0.065 0.000 1.146 607 P CA 1.304 64.268 63.100 -0.227 0.000 0.808 607 P CB 0.016 31.549 31.700 -0.278 0.000 0.779 608 Y N -0.720 119.566 120.300 -0.024 0.000 2.349 608 Y HA 0.614 5.164 4.550 -0.000 0.000 0.324 608 Y C -0.056 175.973 175.900 0.214 0.000 1.005 608 Y CA -1.421 56.791 58.100 0.186 0.000 1.240 608 Y CB 0.794 39.443 38.460 0.315 0.000 1.117 608 Y HN -0.192 nan 8.280 nan 0.000 0.463 609 A N 3.692 126.325 122.820 -0.312 0.000 2.538 609 A HA 0.754 5.074 4.320 -0.000 0.000 0.269 609 A C 0.654 178.017 177.584 -0.370 0.000 1.231 609 A CA 0.302 52.168 52.037 -0.284 0.000 0.948 609 A CB -0.415 18.530 19.000 -0.091 0.000 1.110 609 A HN 1.530 nan 8.150 nan 0.000 0.529 610 G N -2.353 106.034 108.800 -0.689 0.000 2.351 610 G HA2 0.550 4.510 3.960 -0.000 0.000 0.353 610 G HA3 0.550 4.510 3.960 -0.000 0.000 0.353 610 G C -0.394 174.572 174.900 0.109 0.000 1.358 610 G CA -0.049 44.908 45.100 -0.237 0.000 0.995 610 G HN 1.827 nan 8.290 nan 0.000 0.611 611 G N -2.017 106.919 108.800 0.226 0.000 2.442 611 G HA2 0.659 4.619 3.960 -0.000 0.000 0.296 611 G HA3 0.659 4.619 3.960 -0.000 0.000 0.296 611 G C 0.419 175.433 174.900 0.190 0.000 1.564 611 G CA 0.902 46.125 45.100 0.205 0.000 0.828 611 G HN 1.909 nan 8.290 nan 0.000 0.571 612 T N -2.355 112.278 114.554 0.131 0.000 3.107 612 T HA 0.293 4.643 4.350 -0.000 0.000 0.249 612 T C 0.637 175.404 174.700 0.111 0.000 1.096 612 T CA 0.603 62.760 62.100 0.095 0.000 1.012 612 T CB -0.098 68.794 68.868 0.041 0.000 0.977 612 T HN 0.565 nan 8.240 nan 0.000 0.527 613 H N 0.832 119.934 119.070 0.054 0.000 2.710 613 H HA 0.453 5.009 4.556 -0.000 0.000 0.361 613 H C -2.531 172.827 175.328 0.051 0.000 1.175 613 H CA -2.789 53.268 56.048 0.016 0.000 1.206 613 H CB 1.686 31.421 29.762 -0.045 0.000 1.750 613 H HN 0.042 nan 8.280 nan 0.000 0.553 614 P HA -0.065 nan 4.420 nan 0.000 0.267 614 P C -0.868 176.464 177.300 0.053 0.000 1.200 614 P CA -0.005 63.128 63.100 0.055 0.000 0.772 614 P CB 0.617 32.308 31.700 -0.015 0.000 0.855 615 V N 1.787 121.712 119.914 0.019 0.000 2.686 615 V HA 0.440 4.560 4.120 -0.000 0.000 0.295 615 V C 0.551 176.610 176.094 -0.059 0.000 1.057 615 V CA -0.486 61.791 62.300 -0.040 0.000 1.012 615 V CB 1.036 32.720 31.823 -0.232 0.000 1.006 615 V HN 0.633 nan 8.190 nan 0.000 0.477 616 A N 3.411 126.205 122.820 -0.042 0.000 2.294 616 A HA 0.403 4.723 4.320 -0.000 0.000 0.316 616 A C 0.962 178.523 177.584 -0.038 0.000 1.359 616 A CA -0.499 51.517 52.037 -0.035 0.000 0.956 616 A CB 0.071 19.066 19.000 -0.009 0.000 1.155 616 A HN 0.924 nan 8.150 nan 0.000 0.544 617 K N 1.759 122.133 120.400 -0.043 0.000 2.288 617 K HA 0.103 4.423 4.320 -0.000 0.000 0.201 617 K C 1.075 177.682 176.600 0.012 0.000 1.048 617 K CA 1.110 57.379 56.287 -0.030 0.000 0.956 617 K CB 0.190 32.672 32.500 -0.031 0.000 0.746 617 K HN 0.837 nan 8.250 nan 0.000 0.461 618 G N -0.203 108.610 108.800 0.021 0.000 2.510 618 G HA2 0.480 4.440 3.960 -0.000 0.000 0.277 618 G HA3 0.480 4.440 3.960 -0.000 0.000 0.277 618 G C -1.791 173.141 174.900 0.054 0.000 1.223 618 G CA -0.363 44.766 45.100 0.048 0.000 0.887 618 G HN 0.085 nan 8.290 nan 0.000 0.485 619 A N 0.018 122.905 122.820 0.111 0.000 2.289 619 A HA 0.608 4.928 4.320 -0.000 0.000 0.298 619 A C 0.090 177.789 177.584 0.192 0.000 1.208 619 A CA -0.340 51.819 52.037 0.204 0.000 0.845 619 A CB 0.638 19.808 19.000 0.283 0.000 1.125 619 A HN 0.327 nan 8.150 nan 0.000 0.517 620 Q N 2.156 121.940 119.800 -0.026 0.000 3.184 620 Q HA 0.311 4.651 4.340 -0.000 0.000 0.288 620 Q C -1.563 174.072 176.000 -0.609 0.000 1.412 620 Q CA 0.695 56.335 55.803 -0.271 0.000 0.991 620 Q CB -0.831 27.690 28.738 -0.362 0.000 1.688 620 Q HN 0.550 nan 8.270 nan 0.000 0.554 621 F N -0.696 119.304 119.950 0.083 0.000 2.628 621 F HA 0.475 5.002 4.527 -0.000 0.000 0.309 621 F C 0.003 175.791 175.800 -0.020 0.000 1.108 621 F CA -1.290 56.757 58.000 0.078 0.000 0.971 621 F CB 1.074 40.181 39.000 0.179 0.000 1.279 621 F HN 0.110 nan 8.300 nan 0.000 0.441 622 A N 3.429 126.306 122.820 0.096 0.000 2.445 622 A HA 0.387 4.707 4.320 -0.000 0.000 0.242 622 A C -1.592 175.786 177.584 -0.343 0.000 1.075 622 A CA -1.052 50.930 52.037 -0.092 0.000 0.777 622 A CB -0.209 18.759 19.000 -0.053 0.000 1.013 622 A HN 0.577 nan 8.150 nan 0.000 0.493 623 P HA -0.141 nan 4.420 nan 0.000 0.234 623 P C 0.034 177.016 177.300 -0.529 0.000 1.162 623 P CA 1.340 63.814 63.100 -1.043 0.000 0.759 623 P CB 0.069 31.402 31.700 -0.612 0.000 0.813 624 D N -2.024 118.191 120.400 -0.307 0.000 2.369 624 D HA 0.015 4.654 4.640 -0.000 0.000 0.211 624 D C 0.376 176.562 176.300 -0.190 0.000 1.077 624 D CA 0.026 53.888 54.000 -0.230 0.000 0.842 624 D CB -0.275 40.426 40.800 -0.164 0.000 0.947 624 D HN 0.040 nan 8.370 nan 0.000 0.509 625 E N 0.178 120.330 120.200 -0.080 0.000 2.360 625 E HA -0.002 4.348 4.350 -0.000 0.000 0.269 625 E C 0.236 176.859 176.600 0.039 0.000 1.022 625 E CA -0.294 56.146 56.400 0.066 0.000 0.887 625 E CB 0.835 30.645 29.700 0.183 0.000 0.990 625 E HN 0.262 nan 8.360 nan 0.000 0.426 626 W N 2.367 123.704 121.300 0.060 0.000 2.363 626 W HA -0.116 4.544 4.660 -0.000 0.000 0.296 626 W C 2.180 178.688 176.519 -0.018 0.000 1.212 626 W CA 0.326 57.680 57.345 0.016 0.000 1.260 626 W CB -0.170 29.195 29.460 -0.158 0.000 1.131 626 W HN 0.608 nan 8.180 nan 0.000 0.530 627 I N -0.519 120.095 120.570 0.072 0.000 2.264 627 I HA -0.376 3.794 4.170 -0.000 0.000 0.248 627 I C 2.401 178.452 176.117 -0.111 0.000 1.111 627 I CA 1.569 62.804 61.300 -0.108 0.000 1.382 627 I CB -0.336 37.441 38.000 -0.372 0.000 1.060 627 I HN 0.062 nan 8.210 nan 0.000 0.418 628 Y N 0.677 120.855 120.300 -0.204 0.000 2.242 628 Y HA -0.330 4.220 4.550 -0.000 0.000 0.291 628 Y C 2.550 178.431 175.900 -0.032 0.000 1.137 628 Y CA 2.321 60.348 58.100 -0.122 0.000 1.181 628 Y CB -0.622 37.815 38.460 -0.039 0.000 0.989 628 Y HN 0.376 nan 8.280 nan 0.000 0.527 629 H N -0.058 119.111 119.070 0.164 0.000 2.389 629 H HA 0.002 4.557 4.556 -0.000 0.000 0.299 629 H C 2.153 177.512 175.328 0.051 0.000 1.081 629 H CA 1.862 57.959 56.048 0.081 0.000 1.345 629 H CB 0.021 29.723 29.762 -0.099 0.000 1.393 629 H HN 0.248 nan 8.280 nan 0.000 0.520 630 R N -0.434 120.099 120.500 0.055 0.000 2.115 630 R HA 0.108 4.448 4.340 -0.000 0.000 0.226 630 R C 0.133 176.378 176.300 -0.091 0.000 1.100 630 R CA 0.882 56.971 56.100 -0.017 0.000 0.980 630 R CB 0.310 30.655 30.300 0.075 0.000 0.875 630 R HN 0.241 nan 8.270 nan 0.000 0.445 631 L N 0.851 121.997 121.223 -0.129 0.000 2.502 631 L HA 0.278 4.618 4.340 -0.000 0.000 0.247 631 L C 0.530 177.217 176.870 -0.305 0.000 1.180 631 L CA -0.319 54.433 54.840 -0.147 0.000 0.956 631 L CB 1.815 43.766 42.059 -0.179 0.000 1.282 631 L HN 0.007 nan 8.230 nan 0.000 0.470 632 S N 1.107 116.687 115.700 -0.199 0.000 2.400 632 S HA -0.204 4.266 4.470 -0.000 0.000 0.232 632 S C 1.728 176.336 174.600 0.014 0.000 1.025 632 S CA 1.551 59.668 58.200 -0.137 0.000 0.993 632 S CB -0.238 62.984 63.200 0.037 0.000 0.808 632 S HN 0.745 nan 8.310 nan 0.000 0.478 633 F N 1.461 121.287 119.950 -0.208 0.000 2.373 633 F HA -0.005 4.522 4.527 -0.000 0.000 0.300 633 F C 1.762 177.638 175.800 0.127 0.000 1.080 633 F CA 0.676 58.589 58.000 -0.145 0.000 1.417 633 F CB -1.011 37.701 39.000 -0.480 0.000 1.070 633 F HN 0.098 nan 8.300 nan 0.000 0.546 634 M N 0.349 119.502 119.600 -0.745 0.000 2.229 634 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 634 M C 1.064 177.284 176.300 -0.134 0.000 1.063 634 M CA 1.795 56.778 55.300 -0.528 0.000 1.114 634 M CB -0.525 31.749 32.600 -0.543 0.000 1.387 634 M HN 0.120 nan 8.290 nan 0.000 0.420 635 D N 0.593 120.942 120.400 -0.086 0.000 2.328 635 D HA 0.060 4.700 4.640 -0.000 0.000 0.221 635 D C -0.319 176.020 176.300 0.065 0.000 1.072 635 D CA 0.416 54.414 54.000 -0.003 0.000 0.850 635 D CB 0.498 41.246 40.800 -0.086 0.000 0.922 635 D HN -0.076 nan 8.370 nan 0.000 0.516 636 K N 0.134 120.633 120.400 0.166 0.000 2.501 636 K HA 0.231 4.551 4.320 -0.000 0.000 0.252 636 K C 0.039 176.786 176.600 0.245 0.000 0.934 636 K CA -0.456 55.867 56.287 0.060 0.000 0.797 636 K CB 1.820 34.088 32.500 -0.388 0.000 1.270 636 K HN -0.192 nan 8.250 nan 0.000 0.431 637 Q N 0.351 120.257 119.800 0.177 0.000 2.269 637 Q HA 0.111 4.451 4.340 -0.000 0.000 0.201 637 Q C 0.125 176.292 176.000 0.278 0.000 0.946 637 Q CA 0.540 56.500 55.803 0.262 0.000 0.877 637 Q CB 0.214 29.112 28.738 0.266 0.000 0.963 637 Q HN 0.381 nan 8.270 nan 0.000 0.472 638 L N -0.407 120.908 121.223 0.153 0.000 2.386 638 L HA 0.615 4.955 4.340 -0.000 0.000 0.271 638 L C -2.021 174.874 176.870 0.042 0.000 0.993 638 L CA -0.518 54.429 54.840 0.178 0.000 0.819 638 L CB 1.291 43.418 42.059 0.114 0.000 1.294 638 L HN 0.013 nan 8.230 nan 0.000 0.414 639 W N 3.906 125.334 121.300 0.215 0.000 3.127 639 W HA 0.760 5.420 4.660 -0.000 0.000 0.330 639 W C -1.376 175.330 176.519 0.312 0.000 1.187 639 W CA -0.769 56.703 57.345 0.212 0.000 1.198 639 W CB 2.205 31.751 29.460 0.144 0.000 1.408 639 W HN 0.280 nan 8.180 nan 0.000 0.529 640 V N 2.514 122.712 119.914 0.473 0.000 2.567 640 V HA 0.662 4.782 4.120 -0.000 0.000 0.298 640 V C -0.183 176.110 176.094 0.332 0.000 1.047 640 V CA -0.781 61.750 62.300 0.385 0.000 0.880 640 V CB 1.388 33.346 31.823 0.224 0.000 1.009 640 V HN 0.600 nan 8.190 nan 0.000 0.429 641 T N 1.552 116.328 114.554 0.371 0.000 2.910 641 T HA 0.783 5.133 4.350 -0.000 0.000 0.287 641 T C -0.369 174.401 174.700 0.117 0.000 1.050 641 T CA -0.962 61.282 62.100 0.241 0.000 1.011 641 T CB 2.099 71.135 68.868 0.281 0.000 1.195 641 T HN 0.501 nan 8.240 nan 0.000 0.540 642 R N 0.384 120.857 120.500 -0.045 0.000 2.390 642 R HA 0.337 4.677 4.340 -0.000 0.000 0.291 642 R C -0.855 175.236 176.300 -0.348 0.000 1.070 642 R CA -0.794 55.209 56.100 -0.161 0.000 1.014 642 R CB -0.397 29.770 30.300 -0.222 0.000 1.007 642 R HN 0.734 nan 8.270 nan 0.000 0.466 643 Y N 4.136 124.308 120.300 -0.214 0.000 2.805 643 Y HA 0.029 4.579 4.550 -0.000 0.000 0.331 643 Y C -0.809 175.012 175.900 -0.131 0.000 1.241 643 Y CA 0.923 58.935 58.100 -0.146 0.000 1.546 643 Y CB 0.131 38.560 38.460 -0.051 0.000 1.248 643 Y HN 0.695 nan 8.280 nan 0.000 0.559 644 H N 6.660 125.208 119.070 -0.869 0.000 2.966 644 H HA 0.188 4.744 4.556 -0.000 0.000 0.347 644 H C -2.081 172.772 175.328 -0.791 0.000 1.048 644 H CA -2.042 53.553 56.048 -0.755 0.000 1.295 644 H CB 1.876 31.416 29.762 -0.369 0.000 1.744 644 H HN 0.424 nan 8.280 nan 0.000 0.513 645 P HA -0.114 nan 4.420 nan 0.000 0.219 645 P C 1.386 178.572 177.300 -0.190 0.000 1.146 645 P CA 1.186 64.121 63.100 -0.274 0.000 0.808 645 P CB 0.306 31.928 31.700 -0.131 0.000 0.779 646 G N -0.980 107.705 108.800 -0.191 0.000 3.189 646 G HA2 0.005 3.965 3.960 -0.000 0.000 0.225 646 G HA3 0.005 3.965 3.960 -0.000 0.000 0.225 646 G C 0.040 174.812 174.900 -0.213 0.000 1.159 646 G CA -0.110 44.897 45.100 -0.155 0.000 0.763 646 G HN 0.255 nan 8.290 nan 0.000 0.549 647 E N 0.612 120.608 120.200 -0.341 0.000 2.121 647 E HA 0.361 4.711 4.350 -0.000 0.000 0.255 647 E C 0.162 176.528 176.600 -0.391 0.000 0.906 647 E CA -0.382 55.616 56.400 -0.670 0.000 0.745 647 E CB 1.042 30.060 29.700 -1.137 0.000 1.155 647 E HN 0.240 nan 8.360 nan 0.000 0.424 648 R N 1.395 121.651 120.500 -0.406 0.000 2.531 648 R HA 0.210 4.550 4.340 -0.000 0.000 0.316 648 R C -0.444 175.614 176.300 -0.402 0.000 0.955 648 R CA -0.065 55.744 56.100 -0.485 0.000 1.120 648 R CB 0.726 30.482 30.300 -0.905 0.000 1.361 648 R HN 0.196 nan 8.270 nan 0.000 0.534 649 F N 2.113 122.252 119.950 0.316 0.000 2.477 649 F HA 0.372 4.899 4.527 -0.000 0.000 0.335 649 F C -1.585 174.189 175.800 -0.042 0.000 1.130 649 F CA -3.124 54.956 58.000 0.133 0.000 0.948 649 F CB 1.569 40.565 39.000 -0.008 0.000 1.154 649 F HN -0.268 nan 8.300 nan 0.000 0.439 650 P HA -0.209 nan 4.420 nan 0.000 0.216 650 P C 0.761 177.668 177.300 -0.656 0.000 1.150 650 P CA 1.728 64.408 63.100 -0.701 0.000 0.837 650 P CB 0.285 31.329 31.700 -1.094 0.000 0.786 651 E N 0.489 120.414 120.200 -0.458 0.000 2.465 651 E HA 0.205 4.555 4.350 -0.000 0.000 0.191 651 E C 0.825 177.352 176.600 -0.122 0.000 1.053 651 E CA 0.302 56.601 56.400 -0.167 0.000 0.869 651 E CB -0.636 29.045 29.700 -0.031 0.000 0.977 651 E HN 0.199 nan 8.360 nan 0.000 0.483 652 G N 1.821 110.552 108.800 -0.116 0.000 2.690 652 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.686 652 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.686 652 G C 0.118 175.015 174.900 -0.004 0.000 1.277 652 G CA -0.065 44.999 45.100 -0.060 0.000 0.799 652 G HN 0.166 nan 8.290 nan 0.000 0.613 653 K N -0.709 119.693 120.400 0.002 0.000 2.097 653 K HA 0.023 4.343 4.320 -0.000 0.000 0.205 653 K C 0.318 176.530 176.600 -0.647 0.000 1.050 653 K CA 1.409 57.531 56.287 -0.275 0.000 0.938 653 K CB -0.085 32.217 32.500 -0.329 0.000 0.718 653 K HN 0.493 nan 8.250 nan 0.000 0.442 654 Y N 0.481 120.744 120.300 -0.061 0.000 2.658 654 Y HA 0.250 4.800 4.550 -0.000 0.000 0.362 654 Y C -2.010 173.832 175.900 -0.096 0.000 1.017 654 Y CA -2.390 55.657 58.100 -0.087 0.000 1.134 654 Y CB 1.361 39.775 38.460 -0.078 0.000 1.144 654 Y HN 0.124 nan 8.280 nan 0.000 0.655 655 P HA -0.082 nan 4.420 nan 0.000 0.242 655 P C 0.038 177.335 177.300 -0.005 0.000 1.197 655 P CA 0.478 63.564 63.100 -0.023 0.000 0.765 655 P CB 0.461 32.140 31.700 -0.036 0.000 0.936 656 N N 1.798 120.510 118.700 0.020 0.000 2.405 656 N HA 0.016 4.755 4.740 -0.000 0.000 0.260 656 N C 0.272 175.788 175.510 0.010 0.000 1.152 656 N CA 0.039 53.090 53.050 0.001 0.000 0.948 656 N CB -0.436 38.047 38.487 -0.008 0.000 1.111 656 N HN -0.108 nan 8.380 nan 0.000 0.485 657 R N 0.457 120.940 120.500 -0.029 0.000 3.641 657 R HA -0.181 4.159 4.340 -0.000 0.000 0.286 657 R C -0.297 175.966 176.300 -0.062 0.000 1.153 657 R CA 0.843 56.930 56.100 -0.023 0.000 0.775 657 R CB -2.668 27.566 30.300 -0.111 0.000 1.215 657 R HN 0.743 nan 8.270 nan 0.000 0.474 658 S N -0.764 114.872 115.700 -0.105 0.000 2.579 658 S HA 0.154 4.624 4.470 -0.000 0.000 0.275 658 S C 1.496 175.840 174.600 -0.426 0.000 1.345 658 S CA 0.114 58.172 58.200 -0.238 0.000 1.031 658 S CB 1.599 64.684 63.200 -0.193 0.000 0.892 658 S HN 0.341 nan 8.310 nan 0.000 0.529 659 T N -2.266 111.934 114.554 -0.591 0.000 3.040 659 T HA 0.287 4.636 4.350 -0.000 0.000 0.250 659 T C 0.154 174.881 174.700 0.045 0.000 1.058 659 T CA 0.515 62.218 62.100 -0.662 0.000 0.988 659 T CB -0.713 67.766 68.868 -0.648 0.000 0.993 659 T HN 1.069 nan 8.240 nan 0.000 0.519 660 H N -2.308 116.781 119.070 0.033 0.000 2.967 660 H HA 0.578 5.134 4.556 -0.000 0.000 0.318 660 H C -1.773 173.504 175.328 -0.086 0.000 1.375 660 H CA -1.105 54.971 56.048 0.047 0.000 1.132 660 H CB 0.192 30.002 29.762 0.079 0.000 1.848 660 H HN -0.092 nan 8.280 nan 0.000 0.524 661 D N 0.853 121.229 120.400 -0.040 0.000 2.346 661 D HA 0.065 4.705 4.640 -0.000 0.000 0.260 661 D C 0.634 176.901 176.300 -0.055 0.000 1.252 661 D CA 0.653 54.584 54.000 -0.114 0.000 0.895 661 D CB 0.768 41.452 40.800 -0.194 0.000 1.097 661 D HN 0.711 nan 8.370 nan 0.000 0.489 662 T N 0.311 114.785 114.554 -0.132 0.000 3.092 662 T HA 0.338 4.688 4.350 -0.000 0.000 0.258 662 T C 1.038 175.504 174.700 -0.390 0.000 1.031 662 T CA -0.096 61.923 62.100 -0.135 0.000 0.925 662 T CB 0.779 69.614 68.868 -0.054 0.000 1.036 662 T HN 0.253 nan 8.240 nan 0.000 0.544 663 G N 1.554 110.028 108.800 -0.544 0.000 3.411 663 G HA2 0.437 4.397 3.960 -0.000 0.000 0.186 663 G HA3 0.437 4.397 3.960 -0.000 0.000 0.186 663 G C 0.853 174.821 174.900 -1.554 0.000 1.766 663 G CA -0.607 43.913 45.100 -0.966 0.000 0.971 663 G HN 0.302 nan 8.290 nan 0.000 0.590 664 L N 1.127 121.677 121.223 -1.122 0.000 2.265 664 L HA -0.001 4.339 4.340 -0.000 0.000 0.215 664 L C 2.997 179.508 176.870 -0.599 0.000 1.117 664 L CA 0.903 55.135 54.840 -1.014 0.000 0.782 664 L CB -0.415 40.729 42.059 -1.525 0.000 0.914 664 L HN 0.546 nan 8.230 nan 0.000 0.441 665 G N -0.927 107.596 108.800 -0.461 0.000 2.402 665 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.216 665 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.216 665 G C 1.493 176.307 174.900 -0.144 0.000 1.162 665 G CA 0.559 45.554 45.100 -0.174 0.000 0.777 665 G HN 0.402 nan 8.290 nan 0.000 0.539 666 Q N -0.902 118.733 119.800 -0.276 0.000 2.096 666 Q HA -0.082 4.258 4.340 -0.000 0.000 0.197 666 Q C 2.246 178.238 176.000 -0.014 0.000 0.964 666 Q CA 0.832 56.544 55.803 -0.153 0.000 0.838 666 Q CB -0.182 28.444 28.738 -0.187 0.000 0.906 666 Q HN 0.519 nan 8.270 nan 0.000 0.444 667 Y N 0.495 120.752 120.300 -0.071 0.000 2.333 667 Y HA -0.105 4.445 4.550 -0.000 0.000 0.290 667 Y C 2.455 178.368 175.900 0.021 0.000 1.144 667 Y CA 1.222 59.301 58.100 -0.034 0.000 1.228 667 Y CB -0.489 37.889 38.460 -0.137 0.000 0.985 667 Y HN 0.283 nan 8.280 nan 0.000 0.542 668 S N -1.350 114.449 115.700 0.164 0.000 2.539 668 S HA 0.097 4.567 4.470 -0.000 0.000 0.221 668 S C 1.709 176.388 174.600 0.131 0.000 0.987 668 S CA -0.296 58.008 58.200 0.174 0.000 0.929 668 S CB 0.067 63.421 63.200 0.256 0.000 0.832 668 S HN 0.305 nan 8.310 nan 0.000 0.492 669 K N 2.569 123.027 120.400 0.097 0.000 2.059 669 K HA -0.234 4.086 4.320 -0.000 0.000 0.212 669 K C 1.622 178.266 176.600 0.073 0.000 1.050 669 K CA 2.251 58.580 56.287 0.070 0.000 0.927 669 K CB -0.421 32.105 32.500 0.044 0.000 0.714 669 K HN 0.660 nan 8.250 nan 0.000 0.447 670 D N -0.092 120.358 120.400 0.084 0.000 2.265 670 D HA -0.273 4.367 4.640 -0.000 0.000 0.208 670 D C 0.116 176.462 176.300 0.077 0.000 0.977 670 D CA 1.029 55.077 54.000 0.080 0.000 0.871 670 D CB -0.882 39.977 40.800 0.097 0.000 0.925 670 D HN 0.492 nan 8.370 nan 0.000 0.485 671 N N 1.026 119.778 118.700 0.086 0.000 2.727 671 N HA -0.171 4.569 4.740 -0.000 0.000 0.251 671 N C -0.898 174.657 175.510 0.076 0.000 1.040 671 N CA 0.049 53.146 53.050 0.078 0.000 0.712 671 N CB -0.600 37.924 38.487 0.062 0.000 0.912 671 N HN 0.412 nan 8.380 nan 0.000 0.545 672 E N 0.160 120.412 120.200 0.086 0.000 2.369 672 E HA 0.157 4.507 4.350 -0.000 0.000 0.255 672 E C 0.279 176.922 176.600 0.072 0.000 1.172 672 E CA -0.392 56.056 56.400 0.080 0.000 0.932 672 E CB 0.808 30.564 29.700 0.094 0.000 1.040 672 E HN 0.280 nan 8.360 nan 0.000 0.454 673 S N 0.645 116.384 115.700 0.065 0.000 2.549 673 S HA 0.080 4.550 4.470 -0.000 0.000 0.283 673 S C 0.310 174.947 174.600 0.061 0.000 1.320 673 S CA -0.314 57.922 58.200 0.059 0.000 1.058 673 S CB 0.118 63.350 63.200 0.053 0.000 0.882 673 S HN 0.413 nan 8.310 nan 0.000 0.498 674 L N 3.363 124.622 121.223 0.061 0.000 3.066 674 L HA 0.347 4.687 4.340 -0.000 0.000 0.265 674 L C -0.098 176.803 176.870 0.053 0.000 1.232 674 L CA -0.220 54.657 54.840 0.062 0.000 1.031 674 L CB 0.241 42.343 42.059 0.071 0.000 1.379 674 L HN 0.588 nan 8.230 nan 0.000 0.563 675 D N 1.129 121.557 120.400 0.048 0.000 2.313 675 D HA 0.067 4.707 4.640 -0.000 0.000 0.239 675 D C 0.676 176.999 176.300 0.038 0.000 1.142 675 D CA -0.021 54.004 54.000 0.041 0.000 0.847 675 D CB 0.386 41.210 40.800 0.039 0.000 1.082 675 D HN 0.170 nan 8.370 nan 0.000 0.480 676 N N 2.842 121.563 118.700 0.034 0.000 2.688 676 N HA -0.257 4.483 4.740 -0.000 0.000 0.258 676 N C -1.278 174.252 175.510 0.033 0.000 1.016 676 N CA 0.726 53.794 53.050 0.030 0.000 0.747 676 N CB -0.410 38.092 38.487 0.024 0.000 0.895 676 N HN 0.458 nan 8.380 nan 0.000 0.543 677 T N -0.531 114.046 114.554 0.040 0.000 2.754 677 T HA 0.130 4.480 4.350 -0.000 0.000 0.296 677 T C -1.725 173.005 174.700 0.050 0.000 1.205 677 T CA -0.625 61.502 62.100 0.045 0.000 1.009 677 T CB 1.468 70.367 68.868 0.053 0.000 1.368 677 T HN 0.191 nan 8.240 nan 0.000 0.509 678 D N 1.613 122.049 120.400 0.061 0.000 2.348 678 D HA 0.484 5.124 4.640 -0.000 0.000 0.259 678 D C -0.117 176.237 176.300 0.089 0.000 1.296 678 D CA 0.024 54.064 54.000 0.067 0.000 0.931 678 D CB 0.434 41.285 40.800 0.086 0.000 1.067 678 D HN 0.716 nan 8.370 nan 0.000 0.503 679 A N 3.127 125.992 122.820 0.076 0.000 2.282 679 A HA 0.630 4.950 4.320 -0.000 0.000 0.319 679 A C -0.609 177.029 177.584 0.090 0.000 1.121 679 A CA -0.612 51.479 52.037 0.090 0.000 0.836 679 A CB 1.428 20.479 19.000 0.085 0.000 1.146 679 A HN 0.353 nan 8.150 nan 0.000 0.494 680 V N 2.000 121.979 119.914 0.108 0.000 2.483 680 V HA 0.354 4.474 4.120 -0.000 0.000 0.297 680 V C -0.410 175.711 176.094 0.045 0.000 1.027 680 V CA -0.517 61.798 62.300 0.026 0.000 0.855 680 V CB 1.490 33.317 31.823 0.007 0.000 0.995 680 V HN 0.667 nan 8.190 nan 0.000 0.424 681 V N 4.025 123.914 119.914 -0.043 0.000 2.509 681 V HA 0.461 4.581 4.120 -0.000 0.000 0.284 681 V C -0.902 175.170 176.094 -0.036 0.000 1.047 681 V CA -0.442 61.904 62.300 0.076 0.000 0.952 681 V CB 1.491 33.354 31.823 0.067 0.000 0.988 681 V HN 0.897 nan 8.190 nan 0.000 0.469 682 W N 4.575 125.995 121.300 0.200 0.000 2.538 682 W HA 0.711 5.371 4.660 -0.000 0.000 0.322 682 W C -0.265 176.422 176.519 0.279 0.000 1.028 682 W CA -0.614 56.852 57.345 0.201 0.000 1.228 682 W CB 1.224 30.762 29.460 0.130 0.000 1.356 682 W HN 0.286 nan 8.180 nan 0.000 0.452 683 M N 3.218 123.079 119.600 0.435 0.000 2.205 683 M HA 0.440 4.920 4.480 -0.000 0.000 0.344 683 M C -0.243 176.318 176.300 0.435 0.000 1.085 683 M CA -0.272 55.259 55.300 0.385 0.000 1.001 683 M CB 1.668 34.429 32.600 0.269 0.000 1.626 683 M HN 0.223 nan 8.290 nan 0.000 0.442 684 T N 1.550 116.364 114.554 0.432 0.000 2.779 684 T HA 0.484 4.833 4.350 -0.000 0.000 0.280 684 T C -0.397 174.513 174.700 0.351 0.000 0.987 684 T CA -0.438 61.910 62.100 0.415 0.000 0.966 684 T CB 1.418 70.570 68.868 0.474 0.000 0.933 684 T HN 0.690 nan 8.240 nan 0.000 0.442 685 T N 2.011 116.784 114.554 0.364 0.000 2.971 685 T HA 0.728 5.078 4.350 -0.000 0.000 0.304 685 T C -0.329 174.573 174.700 0.336 0.000 1.038 685 T CA -0.372 61.940 62.100 0.354 0.000 1.007 685 T CB 0.979 70.095 68.868 0.414 0.000 1.055 685 T HN 0.798 nan 8.240 nan 0.000 0.451 686 G N 1.832 110.771 108.800 0.231 0.000 2.725 686 G HA2 0.782 4.742 3.960 -0.000 0.000 0.288 686 G HA3 0.782 4.742 3.960 -0.000 0.000 0.288 686 G C -0.683 174.303 174.900 0.144 0.000 1.399 686 G CA -0.474 44.723 45.100 0.160 0.000 0.859 686 G HN 1.005 nan 8.290 nan 0.000 0.479 687 T N -2.932 111.696 114.554 0.123 0.000 2.906 687 T HA 0.688 5.038 4.350 -0.000 0.000 0.295 687 T C -0.749 173.954 174.700 0.005 0.000 1.061 687 T CA -0.628 61.536 62.100 0.107 0.000 1.000 687 T CB 2.008 71.002 68.868 0.210 0.000 1.103 687 T HN 0.412 nan 8.240 nan 0.000 0.486 688 T N 2.070 116.592 114.554 -0.053 0.000 2.770 688 T HA 0.324 4.674 4.350 -0.000 0.000 0.297 688 T C -0.701 173.885 174.700 -0.191 0.000 0.997 688 T CA -0.410 61.605 62.100 -0.141 0.000 0.949 688 T CB -0.082 68.712 68.868 -0.124 0.000 0.941 688 T HN 0.779 nan 8.240 nan 0.000 0.457 689 H N 3.485 122.271 119.070 -0.473 0.000 2.640 689 H HA 0.526 5.082 4.556 -0.000 0.000 0.297 689 H C -0.923 174.136 175.328 -0.447 0.000 1.073 689 H CA -0.713 54.982 56.048 -0.588 0.000 1.305 689 H CB 0.457 29.824 29.762 -0.659 0.000 1.404 689 H HN 0.286 nan 8.280 nan 0.000 0.459 690 V N 5.291 125.160 119.914 -0.076 0.000 2.347 690 V HA 0.354 4.474 4.120 -0.000 0.000 0.280 690 V C 0.503 176.606 176.094 0.015 0.000 1.021 690 V CA -0.612 61.629 62.300 -0.098 0.000 0.847 690 V CB 0.776 32.552 31.823 -0.079 0.000 0.990 690 V HN 0.926 nan 8.190 nan 0.000 0.444 691 A N 6.483 129.247 122.820 -0.093 0.000 2.327 691 A HA 0.805 5.125 4.320 -0.000 0.000 0.255 691 A C 0.343 177.968 177.584 0.067 0.000 1.099 691 A CA -0.194 51.861 52.037 0.030 0.000 0.801 691 A CB 0.455 19.413 19.000 -0.070 0.000 1.062 691 A HN 1.008 nan 8.150 nan 0.000 0.496 692 R N -1.234 119.339 120.500 0.123 0.000 2.764 692 R HA 0.668 5.008 4.340 -0.000 0.000 0.270 692 R C 0.420 176.784 176.300 0.107 0.000 1.014 692 R CA -0.266 55.888 56.100 0.090 0.000 0.904 692 R CB 1.312 31.674 30.300 0.104 0.000 1.236 692 R HN 0.658 nan 8.270 nan 0.000 0.466 693 A N 0.883 123.750 122.820 0.078 0.000 1.978 693 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 693 A C 1.376 179.044 177.584 0.141 0.000 1.170 693 A CA 1.730 53.828 52.037 0.101 0.000 0.636 693 A CB -0.638 18.398 19.000 0.061 0.000 0.810 693 A HN 0.834 nan 8.150 nan 0.000 0.448 694 E N 0.420 120.689 120.200 0.116 0.000 2.401 694 E HA -0.131 4.219 4.350 -0.000 0.000 0.199 694 E C 1.054 177.728 176.600 0.123 0.000 1.023 694 E CA 1.208 57.671 56.400 0.104 0.000 0.859 694 E CB -0.156 29.594 29.700 0.084 0.000 0.780 694 E HN 0.812 nan 8.360 nan 0.000 0.523 695 E N -0.844 119.464 120.200 0.179 0.000 2.451 695 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 695 E C -0.377 176.389 176.600 0.277 0.000 1.027 695 E CA -0.287 56.233 56.400 0.200 0.000 0.914 695 E CB 0.410 30.270 29.700 0.267 0.000 1.054 695 E HN 0.174 nan 8.360 nan 0.000 0.461 696 W N 2.195 123.512 121.300 0.029 0.000 2.883 696 W HA 0.245 4.905 4.660 -0.000 0.000 0.335 696 W C -2.242 174.290 176.519 0.023 0.000 1.083 696 W CA -2.061 55.297 57.345 0.021 0.000 1.233 696 W CB 1.742 31.215 29.460 0.022 0.000 1.412 696 W HN -0.133 nan 8.180 nan 0.000 0.490 697 P HA 0.026 nan 4.420 nan 0.000 0.226 697 P C 0.185 177.119 177.300 -0.609 0.000 1.153 697 P CA 0.992 63.420 63.100 -1.121 0.000 0.777 697 P CB 1.490 32.744 31.700 -0.744 0.000 0.794 698 I N -0.509 119.890 120.570 -0.286 0.000 2.582 698 I HA 0.346 4.516 4.170 -0.000 0.000 0.292 698 I C -0.656 175.388 176.117 -0.122 0.000 1.066 698 I CA -1.673 59.474 61.300 -0.256 0.000 1.053 698 I CB 2.651 40.491 38.000 -0.267 0.000 1.241 698 I HN -0.275 nan 8.210 nan 0.000 0.421 699 M N 9.341 128.873 119.600 -0.114 0.000 2.120 699 M HA 0.463 4.943 4.480 -0.000 0.000 0.354 699 M C -2.448 173.790 176.300 -0.103 0.000 1.287 699 M CA -1.483 53.790 55.300 -0.046 0.000 1.103 699 M CB 1.023 33.631 32.600 0.014 0.000 1.623 699 M HN 0.259 nan 8.290 nan 0.000 0.471 700 P HA 0.050 nan 4.420 nan 0.000 0.267 700 P C -0.890 176.325 177.300 -0.142 0.000 1.205 700 P CA 0.083 63.133 63.100 -0.083 0.000 0.765 700 P CB 0.376 32.054 31.700 -0.037 0.000 0.828 701 T N 4.158 118.613 114.554 -0.166 0.000 2.819 701 T HA -0.024 4.325 4.350 -0.000 0.000 0.282 701 T C 0.272 174.794 174.700 -0.297 0.000 1.013 701 T CA 0.442 62.366 62.100 -0.293 0.000 1.159 701 T CB -0.225 68.486 68.868 -0.261 0.000 1.007 701 T HN 0.343 nan 8.240 nan 0.000 0.514 702 E N 2.383 122.304 120.200 -0.464 0.000 2.171 702 E HA 0.334 4.684 4.350 -0.000 0.000 0.271 702 E C -0.805 175.532 176.600 -0.439 0.000 0.916 702 E CA -0.488 55.670 56.400 -0.403 0.000 0.774 702 E CB 1.567 30.863 29.700 -0.673 0.000 1.128 702 E HN 0.589 nan 8.360 nan 0.000 0.403 703 W N 1.436 122.596 121.300 -0.233 0.000 2.719 703 W HA 0.519 5.179 4.660 0.000 0.000 0.352 703 W C -0.234 176.057 176.519 -0.381 0.000 1.085 703 W CA -0.756 56.404 57.345 -0.309 0.000 1.187 703 W CB 1.287 30.556 29.460 -0.318 0.000 1.417 703 W HN 0.194 nan 8.180 nan 0.000 0.557 704 V N -0.810 118.979 119.914 -0.210 0.000 2.876 704 V HA 0.620 4.740 4.120 -0.000 0.000 0.312 704 V C -0.842 174.980 176.094 -0.454 0.000 1.085 704 V CA -0.991 61.182 62.300 -0.213 0.000 0.945 704 V CB 1.866 33.738 31.823 0.081 0.000 1.017 704 V HN 0.636 nan 8.190 nan 0.000 0.428 705 H N 1.938 121.042 119.070 0.056 0.000 2.690 705 H HA 0.829 5.385 4.556 -0.000 0.000 0.368 705 H C -0.310 174.979 175.328 -0.065 0.000 1.150 705 H CA 0.054 56.077 56.048 -0.041 0.000 1.174 705 H CB 2.414 32.124 29.762 -0.086 0.000 1.684 705 H HN 1.056 nan 8.280 nan 0.000 0.538 706 T N -0.131 114.413 114.554 -0.016 0.000 2.901 706 T HA 0.665 5.015 4.350 -0.000 0.000 0.293 706 T C -0.915 173.709 174.700 -0.127 0.000 1.084 706 T CA -0.846 61.207 62.100 -0.079 0.000 1.008 706 T CB 2.058 70.840 68.868 -0.143 0.000 1.170 706 T HN 0.237 nan 8.240 nan 0.000 0.509 707 L N 0.399 121.549 121.223 -0.121 0.000 2.466 707 L HA 0.700 5.040 4.340 -0.000 0.000 0.258 707 L C -1.746 175.074 176.870 -0.084 0.000 0.973 707 L CA -0.834 53.934 54.840 -0.120 0.000 0.826 707 L CB 2.306 44.312 42.059 -0.088 0.000 1.372 707 L HN 0.809 nan 8.230 nan 0.000 0.409 708 L N 3.496 124.684 121.223 -0.058 0.000 2.415 708 L HA 0.541 4.881 4.340 -0.000 0.000 0.268 708 L C -0.821 176.137 176.870 0.146 0.000 0.984 708 L CA -0.666 54.219 54.840 0.075 0.000 0.853 708 L CB 1.586 43.682 42.059 0.061 0.000 1.215 708 L HN 0.489 nan 8.230 nan 0.000 0.419 709 K N 4.441 124.895 120.400 0.088 0.000 2.221 709 K HA 0.493 4.812 4.320 -0.000 0.000 0.258 709 K C -2.583 173.771 176.600 -0.410 0.000 0.944 709 K CA -1.811 54.437 56.287 -0.065 0.000 0.823 709 K CB 2.245 34.748 32.500 0.005 0.000 1.113 709 K HN 0.223 nan 8.250 nan 0.000 0.431 710 P HA -0.059 nan 4.420 nan 0.000 0.271 710 P C -0.955 176.192 177.300 -0.255 0.000 1.220 710 P CA -0.070 62.405 63.100 -1.041 0.000 0.768 710 P CB 0.578 31.913 31.700 -0.607 0.000 0.848 711 W N 5.894 127.011 121.300 -0.305 0.000 2.413 711 W HA 0.165 4.825 4.660 0.000 0.000 0.308 711 W C -0.329 176.166 176.519 -0.041 0.000 0.997 711 W CA -0.305 56.972 57.345 -0.113 0.000 1.447 711 W CB 0.008 29.420 29.460 -0.080 0.000 1.263 711 W HN 0.542 nan 8.180 nan 0.000 0.416 712 N N 3.559 122.217 118.700 -0.071 0.000 2.741 712 N HA -0.321 4.419 4.740 -0.000 0.000 0.250 712 N C 0.319 175.838 175.510 0.016 0.000 1.115 712 N CA 1.455 54.489 53.050 -0.027 0.000 0.724 712 N CB -1.950 36.554 38.487 0.028 0.000 1.090 712 N HN 0.531 nan 8.380 nan 0.000 0.558 713 F N -0.189 119.642 119.950 -0.198 0.000 2.293 713 F HA 0.208 4.735 4.527 -0.000 0.000 0.297 713 F C 0.794 176.262 175.800 -0.553 0.000 1.089 713 F CA 0.767 58.535 58.000 -0.386 0.000 1.377 713 F CB 0.205 38.853 39.000 -0.587 0.000 1.051 713 F HN -0.018 nan 8.300 nan 0.000 0.511 714 F N 0.123 120.082 119.950 0.015 0.000 2.525 714 F HA 0.277 4.804 4.527 -0.000 0.000 0.346 714 F C 1.234 176.980 175.800 -0.089 0.000 1.072 714 F CA -0.825 57.135 58.000 -0.068 0.000 1.033 714 F CB 0.270 39.234 39.000 -0.060 0.000 1.324 714 F HN -0.300 nan 8.300 nan 0.000 0.491 715 D N -0.552 119.934 120.400 0.142 0.000 2.398 715 D HA 0.112 4.752 4.640 -0.000 0.000 0.210 715 D C -0.185 176.120 176.300 0.008 0.000 1.094 715 D CA 0.459 54.478 54.000 0.033 0.000 0.839 715 D CB 0.601 41.406 40.800 0.008 0.000 0.963 715 D HN 0.730 nan 8.370 nan 0.000 0.506 716 E N -1.393 118.819 120.200 0.020 0.000 2.429 716 E HA 0.195 4.545 4.350 -0.000 0.000 0.277 716 E C -1.163 175.389 176.600 -0.081 0.000 1.130 716 E CA -0.835 55.538 56.400 -0.045 0.000 0.875 716 E CB 0.134 29.801 29.700 -0.056 0.000 1.443 716 E HN -0.317 nan 8.360 nan 0.000 0.444 717 T N 2.615 117.100 114.554 -0.115 0.000 2.704 717 T HA 0.027 4.377 4.350 -0.000 0.000 0.271 717 T C -1.822 172.784 174.700 -0.157 0.000 1.000 717 T CA -0.267 61.753 62.100 -0.133 0.000 1.216 717 T CB 0.038 68.802 68.868 -0.172 0.000 0.961 717 T HN 0.313 nan 8.240 nan 0.000 0.515 718 P HA -0.037 nan 4.420 nan 0.000 0.225 718 P C 1.395 178.578 177.300 -0.196 0.000 1.148 718 P CA 0.698 63.529 63.100 -0.449 0.000 0.779 718 P CB 0.057 31.246 31.700 -0.852 0.000 0.780 719 T N -4.903 109.623 114.554 -0.046 0.000 3.069 719 T HA 0.206 4.556 4.350 -0.000 0.000 0.252 719 T C 1.530 176.302 174.700 0.120 0.000 1.053 719 T CA -0.161 61.968 62.100 0.050 0.000 0.964 719 T CB -0.780 68.152 68.868 0.107 0.000 1.005 719 T HN 0.002 nan 8.240 nan 0.000 0.532 720 L N 1.280 122.551 121.223 0.080 0.000 2.127 720 L HA 0.209 4.549 4.340 -0.000 0.000 0.211 720 L C 1.613 178.511 176.870 0.047 0.000 1.089 720 L CA 1.330 56.216 54.840 0.077 0.000 0.757 720 L CB -0.912 41.135 42.059 -0.019 0.000 0.899 720 L HN 0.752 nan 8.230 nan 0.000 0.434 721 G N -1.622 107.183 108.800 0.009 0.000 2.541 721 G HA2 0.060 4.020 3.960 -0.000 0.000 0.686 721 G HA3 0.060 4.020 3.960 -0.000 0.000 0.686 721 G C -0.593 174.302 174.900 -0.009 0.000 1.286 721 G CA -0.624 44.474 45.100 -0.004 0.000 0.894 721 G HN 0.373 nan 8.290 nan 0.000 0.575 722 A N -0.122 122.693 122.820 -0.010 0.000 2.407 722 A HA 0.666 4.986 4.320 -0.000 0.000 0.248 722 A C 0.915 178.495 177.584 -0.005 0.000 1.082 722 A CA -0.084 51.950 52.037 -0.006 0.000 0.785 722 A CB 0.218 19.214 19.000 -0.006 0.000 1.020 722 A HN 1.283 nan 8.150 nan 0.000 0.489 723 L N 2.335 123.555 121.223 -0.005 0.000 2.416 723 L HA 0.118 4.458 4.340 -0.000 0.000 0.272 723 L C 0.961 177.828 176.870 -0.005 0.000 1.161 723 L CA -0.034 54.802 54.840 -0.006 0.000 0.845 723 L CB 0.471 42.526 42.059 -0.007 0.000 1.119 723 L HN 0.781 nan 8.230 nan 0.000 0.464 724 K N 0.000 120.397 120.400 -0.005 0.000 2.780 724 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 724 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 724 K CB 0.000 32.498 32.500 -0.004 0.000 1.064 724 K HN 0.000 nan 8.250 nan 0.000 0.543